General Information of the Compound
Compound ID
CP0196231
Compound Name
N-hydroxy-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
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Structure
Formula
C9H7N3O2S
Molecular Weight
221.241
Canonical SMILES
ONC(=O)c1csc(n1)-c1cccnc1
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InChI
InChI=1S/C9H7N3O2S/c13-8(12-14)7-5-15-9(11-7)6-2-1-3-10-4-6/h1-5,14H,(H,12,13)
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InChIKey
XXMNXKFDTRMRKI-UHFFFAOYSA-N
Physicochemical Property
logP
1.3241
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
75.11
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
15

"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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PubChem ID
CID: 604917
SID: 125263589
ChEMBL ID
CHEMBL3771312