2-anilino-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

C16H14N4OS — CID 30860119

IUPAC2-anilino-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cccnc1)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C16H14N4OS/c21-15(18-10-12-5-4-8-17-9-12)14-11-22-16(20-14)19-13-6-2-1-3-7-13/h1-9,11H,10H2,(H,18,21)(H,19,20)
InChIKeyVJTHMEAIXNIWCG-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.21
Rot. Bonds5

About 2-anilino-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

2-anilino-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 30860119) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-anilino-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID30860119
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name2-anilino-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cccnc1)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C16H14N4OS/c21-15(18-10-12-5-4-8-17-9-12)14-11-22-16(20-14)19-13-6-2-1-3-7-13/h1-9,11H,10H2,(H,18,21)(H,19,20)
InChIKeyVJTHMEAIXNIWCG-UHFFFAOYSA-N
XLogP3.21
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-anilino-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-(pyridin-3-ylmethylamino)-1,3-thiazole-4-carboxamide
CID 117089108
2-[(2-anilino-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 42813690
2-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 110694215
2-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46056119
N-benzyl-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 5140917
N-[(2,4-difluorophenyl)methyl]-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
CID 90510350
2-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 16948254
2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide
CID 16914921
N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide
CID 117088609
6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442
2-(4-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3978833
2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 46546339

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-anilino-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 30860119) is 2-anilino-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-anilino-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-anilino-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(NCc1cccnc1)c1csc(Nc2ccccc2)n1.
What is the InChIKey of 2-anilino-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is VJTHMEAIXNIWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c21-15(18-10-12-5-4-8-17-9-12)14-11-22-16(20-14)19-13-6-2-1-3-7-13/h1-9,11H,10H2,(H,18,21)(H,19,20).
What are the key properties of 2-anilino-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
2-anilino-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 30860119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).