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

C13H14N4O2S — CID 75506481

IUPAC4-acetyl-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide
SMILESCC(=O)c1csc(C(=O)Nc2n[nH]c(C3CCC3)n2)c1
InChIInChI=1S/C13H14N4O2S/c1-7(18)9-5-10(20-6-9)12(19)15-13-14-11(16-17-13)8-3-2-4-8/h5-6,8H,2-4H2,1H3,(H2,14,15,16,17,19)
InChIKeyVORHSGKDTJTLNN-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.59
Rot. Bonds4

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

4-acetyl-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide (PubChem CID 75506481) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 4-acetyl-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide
PubChem CID75506481
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name4-acetyl-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide
SMILESCC(=O)c1csc(C(=O)Nc2n[nH]c(C3CCC3)n2)c1
InChIInChI=1S/C13H14N4O2S/c1-7(18)9-5-10(20-6-9)12(19)15-13-14-11(16-17-13)8-3-2-4-8/h5-6,8H,2-4H2,1H3,(H2,14,15,16,17,19)
InChIKeyVORHSGKDTJTLNN-UHFFFAOYSA-N
XLogP2.59
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.59
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-cyclobutyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of 4-acetyl-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide (CID 75506481) is 4-acetyl-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide is CC(=O)c1csc(C(=O)Nc2n[nH]c(C3CCC3)n2)c1.
What is the InChIKey of 4-acetyl-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide?
The InChIKey is VORHSGKDTJTLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-7(18)9-5-10(20-6-9)12(19)15-13-14-11(16-17-13)8-3-2-4-8/h5-6,8H,2-4H2,1H3,(H2,14,15,16,17,19).
What are the key properties of 4-acetyl-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide?
4-acetyl-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 2.59, 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-cyclobutyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 75506481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).