General Information of the Compound
| Compound ID |
CP0110381
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| Compound Name |
1-cyano-3-{2-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]ethyl}-2-methylguanidine
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| Synonyms |
ICI 125,211
2-Cyano-1-(2-(((2-((diaminomethylene)amino)-4-thiazolyl)methyl)thio)ethyl)-3-methylguanidine
2-guanidino-4-(2-(2-cyano-3-methylguanidino)ethylthiomethyl)thiazole
69014-14-8
DSSTox_CID_26341
DSSTox_GSID_46341
DSSTox_RID_81545
EZU9AIZ69M
Guanidine,
ICI 125,211
ICI-125211
NCGC00163256-01
TIOTIDINE
Tiotidina
Tiotidina [INN-Spanish]
Tiotidine
Tiotidine [USAN:INN]
Tiotidinum
Tiotidinum [INN-Latin]
UNII-EZU9AIZ69M
[3H]-tiotidine
[3H]tiotidine
tiotidine
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| Structure |
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| Formula |
C10H16N8S2
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| Molecular Weight |
312.428
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| Canonical SMILES |
CNC(NC#N)=NCCSCc1csc(N=C(N)N)n1
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| InChI |
InChI=1S/C10H16N8S2/c1-14-9(16-6-11)15-2-3-19-4-7-5-20-10(17-7)18-8(12)13/h5H,2-4H2,1H3,(H2,14,15,16)(H4,12,13,17,18)
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| InChIKey |
YDDXVAXDYKBWDX-UHFFFAOYSA-N
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| Physicochemical Property |
"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). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound
Drug 1 ( tiotidine )
| Drug Name | tiotidine | ||
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| Target(s) |
Histamine H2 receptor (H2R)
Antagonist
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