4-acetyl-N-(5-ethyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide

C11H12N4O2S — CID 75498910

IUPAC4-acetyl-N-(5-ethyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide
SMILESCCc1nc(NC(=O)c2cc(C(C)=O)cs2)n[nH]1
InChIInChI=1S/C11H12N4O2S/c1-3-9-12-11(15-14-9)13-10(17)8-4-7(5-18-8)6(2)16/h4-5H,3H2,1-2H3,(H2,12,13,14,15,17)
InChIKeyHBZMXOAKNIZLFL-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.88
Rot. Bonds4

About 4-acetyl-N-(5-ethyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide

4-acetyl-N-(5-ethyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide (PubChem CID 75498910) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 4-acetyl-N-(5-ethyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(5-ethyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide
PubChem CID75498910
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name4-acetyl-N-(5-ethyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide
SMILESCCc1nc(NC(=O)c2cc(C(C)=O)cs2)n[nH]1
InChIInChI=1S/C11H12N4O2S/c1-3-9-12-11(15-14-9)13-10(17)8-4-7(5-18-8)6(2)16/h4-5H,3H2,1-2H3,(H2,12,13,14,15,17)
InChIKeyHBZMXOAKNIZLFL-UHFFFAOYSA-N
XLogP1.88
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(5-ethyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of 4-acetyl-N-(5-ethyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide (CID 75498910) is 4-acetyl-N-(5-ethyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(5-ethyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(5-ethyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide is CCc1nc(NC(=O)c2cc(C(C)=O)cs2)n[nH]1.
What is the InChIKey of 4-acetyl-N-(5-ethyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide?
The InChIKey is HBZMXOAKNIZLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-3-9-12-11(15-14-9)13-10(17)8-4-7(5-18-8)6(2)16/h4-5H,3H2,1-2H3,(H2,12,13,14,15,17).
What are the key properties of 4-acetyl-N-(5-ethyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide?
4-acetyl-N-(5-ethyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide has a molecular weight of 264.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(5-ethyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 75498910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).