5-acetyl-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide

C12H17N3O2S — CID 9075236

IUPAC5-acetyl-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NN2CCN(C)CC2)s1
InChIInChI=1S/C12H17N3O2S/c1-9(16)10-3-4-11(18-10)12(17)13-15-7-5-14(2)6-8-15/h3-4H,5-8H2,1-2H3,(H,13,17)
InChIKeyRCQZQWLHSRNMTA-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.84
Rot. Bonds3

About 5-acetyl-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide

5-acetyl-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide (PubChem CID 9075236) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 5-acetyl-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide
PubChem CID9075236
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name5-acetyl-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NN2CCN(C)CC2)s1
InChIInChI=1S/C12H17N3O2S/c1-9(16)10-3-4-11(18-10)12(17)13-15-7-5-14(2)6-8-15/h3-4H,5-8H2,1-2H3,(H,13,17)
InChIKeyRCQZQWLHSRNMTA-UHFFFAOYSA-N
XLogP0.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-acetyl-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide (CID 9075236) is 5-acetyl-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)NN2CCN(C)CC2)s1.
What is the InChIKey of 5-acetyl-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide?
The InChIKey is RCQZQWLHSRNMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-9(16)10-3-4-11(18-10)12(17)13-15-7-5-14(2)6-8-15/h3-4H,5-8H2,1-2H3,(H,13,17).
What are the key properties of 5-acetyl-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide?
5-acetyl-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 9075236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).