4-amino-5-cyano-2-(3-methoxypiperidin-1-yl)thiophene-3-carboxamide

C12H16N4O2S — CID 103507608

IUPAC4-amino-5-cyano-2-(3-methoxypiperidin-1-yl)thiophene-3-carboxamide
SMILESCOC1CCCN(c2sc(C#N)c(N)c2C(N)=O)C1
InChIInChI=1S/C12H16N4O2S/c1-18-7-3-2-4-16(6-7)12-9(11(15)17)10(14)8(5-13)19-12/h7H,2-4,6,14H2,1H3,(H2,15,17)
InChIKeyQBTYUHBNANVTEL-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.92
Rot. Bonds3

About 4-amino-5-cyano-2-(3-methoxypiperidin-1-yl)thiophene-3-carboxamide

4-amino-5-cyano-2-(3-methoxypiperidin-1-yl)thiophene-3-carboxamide (PubChem CID 103507608) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-amino-5-cyano-2-(3-methoxypiperidin-1-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-2-(3-methoxypiperidin-1-yl)thiophene-3-carboxamide
PubChem CID103507608
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name4-amino-5-cyano-2-(3-methoxypiperidin-1-yl)thiophene-3-carboxamide
SMILESCOC1CCCN(c2sc(C#N)c(N)c2C(N)=O)C1
InChIInChI=1S/C12H16N4O2S/c1-18-7-3-2-4-16(6-7)12-9(11(15)17)10(14)8(5-13)19-12/h7H,2-4,6,14H2,1H3,(H2,15,17)
InChIKeyQBTYUHBNANVTEL-UHFFFAOYSA-N
XLogP0.92
TPSA105.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-5-cyano-2-(3-methoxypiperidin-1-yl)thiophene-3-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-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carbonitrile
CID 103507576
3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carboxamide
CID 103507599
methyl 4-amino-5-cyano-2-(3-ethylpiperidin-1-yl)thiophene-3-carboxylate
CID 103509083
3-amino-5-(3-methoxypyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carbonitrile
CID 103542392
4-amino-5-cyano-2-(4-hydroxy-4-methylazepan-1-yl)thiophene-3-carboxamide
CID 107409265
4-amino-5-cyano-2-[4-[(dimethylamino)methyl]piperidin-1-yl]thiophene-3-carboxamide
CID 103526437
methyl 3-amino-4-carbamoyl-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxylate
CID 103418259
methyl 3-amino-5-(3-methoxypiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate
CID 103507572
ethyl 4-amino-2-(azepan-1-yl)-5-cyanothiophene-3-carboxylate
CID 103419617
4-amino-5-cyano-2-(3,4-dimethylpiperidin-1-yl)-N-methylthiophene-3-carboxamide
CID 103507228
methyl 4-amino-5-cyano-2-(4-methyl-1,4-diazepan-1-yl)thiophene-3-carboxylate
CID 103420612
methyl 4-amino-5-cyano-2-(3,5-dimethylpiperidin-1-yl)thiophene-3-carboxylate
CID 103418543

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-2-(3-methoxypiperidin-1-yl)thiophene-3-carboxamide?
The IUPAC name of 4-amino-5-cyano-2-(3-methoxypiperidin-1-yl)thiophene-3-carboxamide (CID 103507608) is 4-amino-5-cyano-2-(3-methoxypiperidin-1-yl)thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-2-(3-methoxypiperidin-1-yl)thiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-cyano-2-(3-methoxypiperidin-1-yl)thiophene-3-carboxamide is COC1CCCN(c2sc(C#N)c(N)c2C(N)=O)C1.
What is the InChIKey of 4-amino-5-cyano-2-(3-methoxypiperidin-1-yl)thiophene-3-carboxamide?
The InChIKey is QBTYUHBNANVTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-18-7-3-2-4-16(6-7)12-9(11(15)17)10(14)8(5-13)19-12/h7H,2-4,6,14H2,1H3,(H2,15,17).
What are the key properties of 4-amino-5-cyano-2-(3-methoxypiperidin-1-yl)thiophene-3-carboxamide?
4-amino-5-cyano-2-(3-methoxypiperidin-1-yl)thiophene-3-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyano-2-(3-methoxypiperidin-1-yl)thiophene-3-carboxamide is sourced from PubChem (CID 103507608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).