1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide

C11H13N3OS — CID 110467008

IUPAC1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide
SMILESCc1csc(CNC(=O)c2cccn2C)n1
InChIInChI=1S/C11H13N3OS/c1-8-7-16-10(13-8)6-12-11(15)9-4-3-5-14(9)2/h3-5,7H,6H2,1-2H3,(H,12,15)
InChIKeyZUZUBEUJEIWGNH-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.72
Rot. Bonds3

About 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide

1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide (PubChem CID 110467008) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide
PubChem CID110467008
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide
SMILESCc1csc(CNC(=O)c2cccn2C)n1
InChIInChI=1S/C11H13N3OS/c1-8-7-16-10(13-8)6-12-11(15)9-4-3-5-14(9)2/h3-5,7H,6H2,1-2H3,(H,12,15)
InChIKeyZUZUBEUJEIWGNH-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 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrole-2-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

4-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709490
2-[2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrrol-1-yl]acetic acid
CID 79330519
N-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 78986080
N-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 51328953
6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 55052730
N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 75375278
5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 60722044
(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylpropanamide
CID 94036213
3-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 110474815
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
CID 131895425
2-(2-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51291453

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide (CID 110467008) is 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide is Cc1csc(CNC(=O)c2cccn2C)n1.
What is the InChIKey of 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is ZUZUBEUJEIWGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8-7-16-10(13-8)6-12-11(15)9-4-3-5-14(9)2/h3-5,7H,6H2,1-2H3,(H,12,15).
What are the key properties of 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide?
1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrole-2-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 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 110467008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).