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

C11H13N3OS — CID 131895425

IUPAC2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
SMILESCc1csc(CNC(=O)c2cc[nH]c2C)n1
InChIInChI=1S/C11H13N3OS/c1-7-6-16-10(14-7)5-13-11(15)9-3-4-12-8(9)2/h3-4,6,12H,5H2,1-2H3,(H,13,15)
InChIKeyDCCZCTGFQDDCOS-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.02
Rot. Bonds3

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

2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide (PubChem CID 131895425) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
PubChem CID131895425
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
SMILESCc1csc(CNC(=O)c2cc[nH]c2C)n1
InChIInChI=1S/C11H13N3OS/c1-7-6-16-10(14-7)5-13-11(15)9-3-4-12-8(9)2/h3-4,6,12H,5H2,1-2H3,(H,13,15)
InChIKeyDCCZCTGFQDDCOS-UHFFFAOYSA-N
XLogP2.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709490
5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 60722044
5-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-3-carboxamide
CID 63116779
2-amino-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 54915790
2-bromo-5-iodo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 113362963
5-chloro-2-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 62247849
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075
2-methyl-N-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxamide
CID 110695685
3-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110563
2-[methyl(methylsulfonyl)amino]-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 143974434
6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 55052730
3-hydroxy-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709417

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide (CID 131895425) is 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide is Cc1csc(CNC(=O)c2cc[nH]c2C)n1.
What is the InChIKey of 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is DCCZCTGFQDDCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7-6-16-10(14-7)5-13-11(15)9-3-4-12-8(9)2/h3-4,6,12H,5H2,1-2H3,(H,13,15).
What are the key properties of 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide?
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 235.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 131895425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).