General Information of the Compound
Compound ID
CP0034960
Compound Name
1,3,4-Thiadiazole-2-sulfonamide, 6
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Synonyms
CL-5343
1,3,4-Thiadiazole-2-sulfonamide, 5-amino-
1,3,4-Thiadiazole-5-sulfonamide, 2-amino-
1,3,4-thiadiazole-2-sulfonamide 15
14949-00-9
2-Amino-1,3,4-thiadiazole-5-sulfonamide
5-Amino-1,3,4-thiadiazole-2-sulfonamide
5-Amino-TDSNH2
5-amino-1,3,4-thiadiazole-2-sulfonamide
AC1L382D
AC1Q6UUX
Acetazolamide Impurity D
BDBM10868
CHEMBL265674
CL 5343
CL-5343
CTK4C6227
Carbonic anhydrase inhibitors (cancer/epilepsy/glaucoma/obesity)
Carbonic anhydrase inhibitors (cancer/epilepsy/glaucoma/obesity), University of Florence/ULS
Carbonic anhydrase inhibitors, Universita degli Studi di Firenze
DTXSID10164324
F687N81LIZ
MolPort-022-374-081
NSC 22979
NSC-22979
NSC22979
PubChem15758
SCHEMBL282413
Sulfonamide CA inhibitors, Universita degli Studi di Firenze
Sulfonamide CA inhibitors, University of Florence
Tio-urasin
UNII-F687N81LIZ
VGMVBPQOACUDRU-UHFFFAOYSA-N
ZINC16969869
aromatic/heteroaromatic
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Structure
Formula
C2H4N4O2S2
Molecular Weight
180.214
Canonical SMILES
Nc1nnc(s1)S(N)(=O)=O
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InChI
InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)
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InChIKey
VGMVBPQOACUDRU-UHFFFAOYSA-N
CAS
14949-00-9
Physicochemical Property
logP
-1.2323
Rotatable Bonds
1
Heavy Atom Count
10
Polar Areas
111.96
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
10

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 84724
SID: 15219679
ChEMBL ID
CHEMBL265674
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00209, Carbonic anhydrase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 105 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 105 nM
Clinical Information about the Compound
Drug 1 ( CL-5343 )
Drug Name CL-5343
Company Universita degli Studi di Firenze
Indication
Solid tumour/cancer
Investigative
Target(s)
Carbonic anhydrase IV (CA-IV)
Inhibitor
Carbonic anhydrase XII (CA-XII)
Inhibitor
Carbonic anhydrase XIV (CA-XIV)
Inhibitor
Carbonic anhydrase IX (CA-IX)
Inhibitor
Carbonic anhydrase VI (CA-VI)
Inhibitor
Carbonic anhydrase II (CA-II)
Inhibitor
Carbonic anhydrase I (CA-I)
Inhibitor