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

C15H12N4O2S — CID 37121264

IUPAC5-acetyl-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)cc2)s1
InChIInChI=1S/C15H12N4O2S/c1-10(20)13-6-7-14(22-13)15(21)18-11-2-4-12(5-3-11)19-9-16-8-17-19/h2-9H,1H3,(H,18,21)
InChIKeyAPTLTOYDJMCVME-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.78
Rot. Bonds4

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

5-acetyl-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide (PubChem CID 37121264) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is 5-acetyl-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
PubChem CID37121264
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC Name5-acetyl-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)cc2)s1
InChIInChI=1S/C15H12N4O2S/c1-10(20)13-6-7-14(22-13)15(21)18-11-2-4-12(5-3-11)19-9-16-8-17-19/h2-9H,1H3,(H,18,21)
InChIKeyAPTLTOYDJMCVME-UHFFFAOYSA-N
XLogP2.78
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(4-fluoro-3-methylphenyl)-5-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide
CID 58816344
5-N-(1-methylpiperidin-4-yl)-2-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide
CID 58816387
2-N-(3-chloro-4-methoxyphenyl)-5-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide
CID 58816348
5-N-(2,3-dihydro-1H-inden-2-yl)-2-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide
CID 58816238
5-(4-cyclopentylpiperazine-1-carbonyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
CID 58816349
[4-(1,2,4-triazol-1-yl)phenyl]carbamic acid
CID 66927702
2-(2-chlorophenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 49322472
2-methylsulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 47156538
3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
CID 61102206
4-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 63103393
4-amino-1-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide
CID 65355126
N-[3-[[4-(1,2,4-triazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 37121591

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide (CID 37121264) is 5-acetyl-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)cc2)s1.
What is the InChIKey of 5-acetyl-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is APTLTOYDJMCVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c1-10(20)13-6-7-14(22-13)15(21)18-11-2-4-12(5-3-11)19-9-16-8-17-19/h2-9H,1H3,(H,18,21).
What are the key properties of 5-acetyl-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide?
5-acetyl-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 37121264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).