2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide

C11H13N3OS — CID 110474082

IUPAC2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2cccn2C)cs1
InChIInChI=1S/C11H13N3OS/c1-8-13-10(7-16-8)11(15)12-6-9-4-3-5-14(9)2/h3-5,7H,6H2,1-2H3,(H,12,15)
InChIKeyKRXPKYFLZYUOPE-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.72
Rot. Bonds3

About 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide

2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 110474082) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID110474082
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2cccn2C)cs1
InChIInChI=1S/C11H13N3OS/c1-8-13-10(7-16-8)11(15)12-6-9-4-3-5-14(9)2/h3-5,7H,6H2,1-2H3,(H,12,15)
InChIKeyKRXPKYFLZYUOPE-UHFFFAOYSA-N
XLogP1.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-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-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide
CID 110471197
2,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 110474283
5-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyrazine-2-carboxamide
CID 107257938
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110472049
1-chloro-N-[(1-methylpyrrol-2-yl)methyl]isoquinoline-3-carboxamide
CID 103714433
N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443309
2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
CID 103755664
2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 103713795
N-[(1-methylpyrrol-2-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide
CID 110472606
2-methyl-N-[(2-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110476240
N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443698
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443992

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide (CID 110474082) is 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCc2cccn2C)cs1.
What is the InChIKey of 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KRXPKYFLZYUOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8-13-10(7-16-8)11(15)12-6-9-4-3-5-14(9)2/h3-5,7H,6H2,1-2H3,(H,12,15).
What are the key properties of 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 235.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110474082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).