2-(aminomethyl)-N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide

C12H10N4OS — CID 66375860

IUPAC2-(aminomethyl)-N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1csc(CN)n1
InChIInChI=1S/C12H10N4OS/c13-5-8-3-1-2-4-9(8)16-12(17)10-7-18-11(6-14)15-10/h1-4,7H,6,14H2,(H,16,17)
InChIKeyIODBBGZJZIGFEQ-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.73
Rot. Bonds3

About 2-(aminomethyl)-N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 66375860) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide
PubChem CID66375860
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name2-(aminomethyl)-N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1csc(CN)n1
InChIInChI=1S/C12H10N4OS/c13-5-8-3-1-2-4-9(8)16-12(17)10-7-18-11(6-14)15-10/h1-4,7H,6,14H2,(H,16,17)
InChIKeyIODBBGZJZIGFEQ-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-(2-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 66378018
2-(aminomethyl)-N-(2-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 66376858
2-(aminomethyl)-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 66377243
N-(2-cyanophenyl)thiadiazole-4-carboxamide
CID 65214777
N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide
CID 63024235
2-(aminomethyl)-N-[2-(3,3,3-trifluoropropyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119819440
2-(aminomethyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119684716
2-(aminomethyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 66377402
2-(aminomethyl)-N-(2-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 66375890
2-(aminomethyl)-N-(2-methylquinolin-8-yl)-1,3-thiazole-4-carboxamide
CID 66379840
2-(2-aminoethyl)-N-(2-cyano-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 107805115
6-bromo-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 103889509

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide (CID 66375860) is 2-(aminomethyl)-N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide is N#Cc1ccccc1NC(=O)c1csc(CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is IODBBGZJZIGFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c13-5-8-3-1-2-4-9(8)16-12(17)10-7-18-11(6-14)15-10/h1-4,7H,6,14H2,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 258.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66375860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).