3-amino-4-cyano-5-(3-methylpiperidin-1-yl)-N-propylthiophene-2-carboxamide

C15H22N4OS — CID 103419483

IUPAC3-amino-4-cyano-5-(3-methylpiperidin-1-yl)-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(N2CCCC(C)C2)c(C#N)c1N
InChIInChI=1S/C15H22N4OS/c1-3-6-18-14(20)13-12(17)11(8-16)15(21-13)19-7-4-5-10(2)9-19/h10H,3-7,9,17H2,1-2H3,(H,18,20)
InChIKeySNKBQYWQUKLGAH-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.58
Rot. Bonds4

About 3-amino-4-cyano-5-(3-methylpiperidin-1-yl)-N-propylthiophene-2-carboxamide

3-amino-4-cyano-5-(3-methylpiperidin-1-yl)-N-propylthiophene-2-carboxamide (PubChem CID 103419483) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 3-amino-4-cyano-5-(3-methylpiperidin-1-yl)-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-5-(3-methylpiperidin-1-yl)-N-propylthiophene-2-carboxamide
PubChem CID103419483
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name3-amino-4-cyano-5-(3-methylpiperidin-1-yl)-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(N2CCCC(C)C2)c(C#N)c1N
InChIInChI=1S/C15H22N4OS/c1-3-6-18-14(20)13-12(17)11(8-16)15(21-13)19-7-4-5-10(2)9-19/h10H,3-7,9,17H2,1-2H3,(H,18,20)
InChIKeySNKBQYWQUKLGAH-UHFFFAOYSA-N
XLogP2.58
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-4-cyano-5-(3-methylpiperidin-1-yl)-N-propylthiophene-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

Related Compounds

3-amino-4-cyano-5-(3,4-dimethylpyrrolidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103506708
3-amino-4-cyano-N-ethyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide
CID 103422052
3-amino-4-cyano-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103542443
5-acetyl-4-amino-2-(4-methylazepan-1-yl)thiophene-3-carbonitrile
CID 103422082
3-amino-4-cyano-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103417583
3-amino-4-cyano-N-ethyl-5-(4-hydroxypiperidin-1-yl)thiophene-2-carboxamide
CID 103418581
3-amino-4-cyano-5-(4-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
CID 103418830
5-acetyl-4-amino-2-(3-ethylpyrrolidin-1-yl)thiophene-3-carbonitrile
CID 103506125
3-amino-4-cyano-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxamide
CID 103418253
3-amino-4-cyano-5-[(2-methylcyclopropyl)amino]-N-propylthiophene-2-carboxamide
CID 103526118
3-amino-4-cyano-5-(1-cyclopropylethylamino)-N-propylthiophene-2-carboxamide
CID 103427568
3-amino-4-methoxy-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103542420

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-5-(3-methylpiperidin-1-yl)-N-propylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-5-(3-methylpiperidin-1-yl)-N-propylthiophene-2-carboxamide (CID 103419483) is 3-amino-4-cyano-5-(3-methylpiperidin-1-yl)-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-5-(3-methylpiperidin-1-yl)-N-propylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-5-(3-methylpiperidin-1-yl)-N-propylthiophene-2-carboxamide is CCCNC(=O)c1sc(N2CCCC(C)C2)c(C#N)c1N.
What is the InChIKey of 3-amino-4-cyano-5-(3-methylpiperidin-1-yl)-N-propylthiophene-2-carboxamide?
The InChIKey is SNKBQYWQUKLGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-3-6-18-14(20)13-12(17)11(8-16)15(21-13)19-7-4-5-10(2)9-19/h10H,3-7,9,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-4-cyano-5-(3-methylpiperidin-1-yl)-N-propylthiophene-2-carboxamide?
3-amino-4-cyano-5-(3-methylpiperidin-1-yl)-N-propylthiophene-2-carboxamide has a molecular weight of 306.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-5-(3-methylpiperidin-1-yl)-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 103419483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).