2-amino-N-[(3-cyanophenyl)methyl]-1,3-thiazole-4-carboxamide

C12H10N4OS — CID 55115826

IUPAC2-amino-N-[(3-cyanophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESN#Cc1cccc(CNC(=O)c2csc(N)n2)c1
InChIInChI=1S/C12H10N4OS/c13-5-8-2-1-3-9(4-8)6-15-11(17)10-7-18-12(14)16-10/h1-4,7H,6H2,(H2,14,16)(H,15,17)
InChIKeyWGSLIGGODNHXAL-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.53
Rot. Bonds3

About 2-amino-N-[(3-cyanophenyl)methyl]-1,3-thiazole-4-carboxamide

2-amino-N-[(3-cyanophenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 55115826) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-amino-N-[(3-cyanophenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3-cyanophenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID55115826
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name2-amino-N-[(3-cyanophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESN#Cc1cccc(CNC(=O)c2csc(N)n2)c1
InChIInChI=1S/C12H10N4OS/c13-5-8-2-1-3-9(4-8)6-15-11(17)10-7-18-12(14)16-10/h1-4,7H,6H2,(H2,14,16)(H,15,17)
InChIKeyWGSLIGGODNHXAL-UHFFFAOYSA-N
XLogP1.53
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide
CID 61103321
N-[(3-cyanophenyl)methyl]-2H-triazole-4-carboxamide
CID 47338495
N-[(3-cyanophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 55037800
2-amino-6-chloro-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide
CID 62314787
3-(3-aminoprop-1-ynyl)-N-[(3-cyanophenyl)methyl]thiophene-2-carboxamide
CID 63801283
3-chloro-N-[(3-cyanophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
CID 62312640
3-amino-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide
CID 105069773
3-amino-N-[(3-cyanophenyl)methyl]-2-methylbenzamide
CID 61101981
2-amino-N-[(3-cyanophenyl)methyl]-6-methylbenzamide
CID 61102170
N-[(3-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283577
5-amino-N-[(3-cyanophenyl)methyl]-2,4-dimethylbenzamide
CID 102705125
2-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788040

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-cyanophenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[(3-cyanophenyl)methyl]-1,3-thiazole-4-carboxamide (CID 55115826) is 2-amino-N-[(3-cyanophenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(3-cyanophenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[(3-cyanophenyl)methyl]-1,3-thiazole-4-carboxamide is N#Cc1cccc(CNC(=O)c2csc(N)n2)c1.
What is the InChIKey of 2-amino-N-[(3-cyanophenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is WGSLIGGODNHXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c13-5-8-2-1-3-9(4-8)6-15-11(17)10-7-18-12(14)16-10/h1-4,7H,6H2,(H2,14,16)(H,15,17).
What are the key properties of 2-amino-N-[(3-cyanophenyl)methyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[(3-cyanophenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 258.31 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-cyanophenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55115826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).