2-(2,5-dimethylpyrrol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]thiophene-3-carboxamide

C20H19N5OS — CID 112823523

IUPAC2-(2,5-dimethylpyrrol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]thiophene-3-carboxamide
SMILESCc1ccc(C)n1-c1sccc1C(=O)NCc1nncn1-c1ccccc1
InChIInChI=1S/C20H19N5OS/c1-14-8-9-15(2)25(14)20-17(10-11-27-20)19(26)21-12-18-23-22-13-24(18)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,21,26)
InChIKeyJENPPLDWUNDWLM-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.67
Rot. Bonds5

About 2-(2,5-dimethylpyrrol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]thiophene-3-carboxamide

2-(2,5-dimethylpyrrol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]thiophene-3-carboxamide (PubChem CID 112823523) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]thiophene-3-carboxamide
PubChem CID112823523
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]thiophene-3-carboxamide
SMILESCc1ccc(C)n1-c1sccc1C(=O)NCc1nncn1-c1ccccc1
InChIInChI=1S/C20H19N5OS/c1-14-8-9-15(2)25(14)20-17(10-11-27-20)19(26)21-12-18-23-22-13-24(18)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,21,26)
InChIKeyJENPPLDWUNDWLM-UHFFFAOYSA-N
XLogP3.67
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2,5-dimethylpyrrol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]thiophene-3-carboxamide with MolForge

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Related Compounds

2-methoxy-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 53497973
2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)thiophene-3-carboxamide
CID 78838245
2-methyl-3-(methylamino)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 119728210
2-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pentanamide
CID 119291926
1-[(2S)-2-(diethylamino)propyl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea
CID 94201454
2-[(4-cyanophenyl)methylsulfanyl]-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 112827242
1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 119291922
5-methyl-1-(3-nitrophenyl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]triazole-4-carboxamide
CID 112827241
1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119291921
1-(1-hydroxypentan-3-yl)-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea
CID 111454543
1-methyl-2-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide
CID 75461103
2-(2,5-dimethylpyrrol-1-yl)-N-[4-(2-oxo-1-pyridinyl)butyl]thiophene-3-carboxamide
CID 86855596

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]thiophene-3-carboxamide (CID 112823523) is 2-(2,5-dimethylpyrrol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]thiophene-3-carboxamide is Cc1ccc(C)n1-c1sccc1C(=O)NCc1nncn1-c1ccccc1.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]thiophene-3-carboxamide?
The InChIKey is JENPPLDWUNDWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-14-8-9-15(2)25(14)20-17(10-11-27-20)19(26)21-12-18-23-22-13-24(18)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,21,26).
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]thiophene-3-carboxamide?
2-(2,5-dimethylpyrrol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]thiophene-3-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 112823523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).