2-(5-chlorothiophen-2-yl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide

C16H14ClN3OS2 — CID 86848562

IUPAC2-(5-chlorothiophen-2-yl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(CNC(=O)c2sc(-c3ccc(Cl)s3)nc2C)n1
InChIInChI=1S/C16H14ClN3OS2/c1-9-4-3-5-11(19-9)8-18-15(21)14-10(2)20-16(23-14)12-6-7-13(17)22-12/h3-7H,8H2,1-2H3,(H,18,21)
InChIKeyXERRWCXYEGYVFR-UHFFFAOYSA-N
MW363.90 g/mol
LogP4.47
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide

2-(5-chlorothiophen-2-yl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 86848562) has the molecular formula C16H14ClN3OS2 and a molecular weight of 363.90 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID86848562
Molecular FormulaC16H14ClN3OS2
Molecular Weight363.90 g/mol
Exact Mass363.03
IUPAC Name2-(5-chlorothiophen-2-yl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(CNC(=O)c2sc(-c3ccc(Cl)s3)nc2C)n1
InChIInChI=1S/C16H14ClN3OS2/c1-9-4-3-5-11(19-9)8-18-15(21)14-10(2)20-16(23-14)12-6-7-13(17)22-12/h3-7H,8H2,1-2H3,(H,18,21)
InChIKeyXERRWCXYEGYVFR-UHFFFAOYSA-N
XLogP4.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.90
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-chlorothiophen-2-yl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazole-5-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

2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 86841367
2-(5-chlorothiophen-2-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 86946620
N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55873365
N-[1-(aminomethyl)cyclopentyl]-2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119565568
2-(5-chlorothiophen-2-yl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119510760
2-(5-chlorothiophen-2-yl)-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119445691
2-(5-chlorothiophen-2-yl)-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 167810583
methyl 2-[[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetate
CID 60609906
3-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide
CID 47340934
2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 113378416
4-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 18107589
2-amino-6-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 55057389

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide (CID 86848562) is 2-(5-chlorothiophen-2-yl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide is Cc1cccc(CNC(=O)c2sc(-c3ccc(Cl)s3)nc2C)n1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is XERRWCXYEGYVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS2/c1-9-4-3-5-11(19-9)8-18-15(21)14-10(2)20-16(23-14)12-6-7-13(17)22-12/h3-7H,8H2,1-2H3,(H,18,21).
What are the key properties of 2-(5-chlorothiophen-2-yl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
2-(5-chlorothiophen-2-yl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 363.90 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86848562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).