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

C15H20N4OS — CID 103418830

IUPAC3-amino-4-cyano-5-(4-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(N2CCC(C)CC2)c(C#N)c1N
InChIInChI=1S/C15H20N4OS/c1-3-6-18-14(20)13-12(17)11(9-16)15(21-13)19-7-4-10(2)5-8-19/h3,10H,1,4-8,17H2,2H3,(H,18,20)
InChIKeyILHLZFJMFYNLQN-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.35
Rot. Bonds4

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

3-amino-4-cyano-5-(4-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 103418830) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-amino-4-cyano-5-(4-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-5-(4-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
PubChem CID103418830
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name3-amino-4-cyano-5-(4-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(N2CCC(C)CC2)c(C#N)c1N
InChIInChI=1S/C15H20N4OS/c1-3-6-18-14(20)13-12(17)11(9-16)15(21-13)19-7-4-10(2)5-8-19/h3,10H,1,4-8,17H2,2H3,(H,18,20)
InChIKeyILHLZFJMFYNLQN-UHFFFAOYSA-N
XLogP2.35
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-cyano-5-(4-methylpiperazin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
CID 103419340
3-amino-4-cyano-N-ethyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide
CID 103422052
5-acetyl-4-amino-2-(4-methylazepan-1-yl)thiophene-3-carbonitrile
CID 103422082
3-amino-4-cyano-N-ethyl-5-(4-hydroxypiperidin-1-yl)thiophene-2-carboxamide
CID 103418581
3-amino-5-(3-methylpyrrolidin-1-yl)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
CID 103509809
3-amino-4-cyano-5-[cyclobutylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103421463
3-amino-4-cyano-5-(3-methylpiperidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103419483
3-amino-4-cyano-5-(3,4-dimethylpyrrolidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103506708
3-amino-4-cyano-5-ethylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
CID 103417441
3-amino-4-methoxy-5-(4-methylpiperazin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
CID 103419320
3-amino-4-cyano-5-[2-methoxyethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103417735
methyl 3-amino-4-cyano-5-(4-ethylpiperidin-1-yl)thiophene-2-carboxylate
CID 103417965

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-5-(4-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-5-(4-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide (CID 103418830) is 3-amino-4-cyano-5-(4-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-5-(4-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-5-(4-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide is C=CCNC(=O)c1sc(N2CCC(C)CC2)c(C#N)c1N.
What is the InChIKey of 3-amino-4-cyano-5-(4-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is ILHLZFJMFYNLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-3-6-18-14(20)13-12(17)11(9-16)15(21-13)19-7-4-10(2)5-8-19/h3,10H,1,4-8,17H2,2H3,(H,18,20).
What are the key properties of 3-amino-4-cyano-5-(4-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide?
3-amino-4-cyano-5-(4-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.35, 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-(4-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 103418830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).