2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide

C11H13N3OS — CID 110766253

IUPAC2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide
SMILESCc1csc(NC(=O)c2cc(C)[nH]c2C)n1
InChIInChI=1S/C11H13N3OS/c1-6-4-9(8(3)12-6)10(15)14-11-13-7(2)5-16-11/h4-5,12H,1-3H3,(H,13,14,15)
InChIKeyLLBLZOOPPZKICI-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.65
Rot. Bonds2

About 2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide

2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide (PubChem CID 110766253) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide
PubChem CID110766253
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide
SMILESCc1csc(NC(=O)c2cc(C)[nH]c2C)n1
InChIInChI=1S/C11H13N3OS/c1-6-4-9(8(3)12-6)10(15)14-11-13-7(2)5-16-11/h4-5,12H,1-3H3,(H,13,14,15)
InChIKeyLLBLZOOPPZKICI-UHFFFAOYSA-N
XLogP2.65
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrole-3-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

3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
CID 110696245
2,4-diamino-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 61089683
2-methyl-5-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 26362533
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 164647541
2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 884818
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 19439782
2-hydroxy-5-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 37018478
5-amino-2,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 61090250
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 110763463
6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-pyridine-2-carboxamide;oxane
CID 144986620
2-bromo-4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 103763238

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide (CID 110766253) is 2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide is Cc1csc(NC(=O)c2cc(C)[nH]c2C)n1.
What is the InChIKey of 2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide?
The InChIKey is LLBLZOOPPZKICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-6-4-9(8(3)12-6)10(15)14-11-13-7(2)5-16-11/h4-5,12H,1-3H3,(H,13,14,15).
What are the key properties of 2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide?
2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide has a molecular weight of 235.31 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 110766253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).