3-amino-4-cyano-N-ethyl-5-(piperidin-4-ylamino)thiophene-2-carboxamide

C13H19N5OS — CID 103525501

IUPAC3-amino-4-cyano-N-ethyl-5-(piperidin-4-ylamino)thiophene-2-carboxamide
SMILESCCNC(=O)c1sc(NC2CCNCC2)c(C#N)c1N
InChIInChI=1S/C13H19N5OS/c1-2-17-12(19)11-10(15)9(7-14)13(20-11)18-8-3-5-16-6-4-8/h8,16,18H,2-6,15H2,1H3,(H,17,19)
InChIKeyMTZZKGMBLLRBMR-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.12
Rot. Bonds4

About 3-amino-4-cyano-N-ethyl-5-(piperidin-4-ylamino)thiophene-2-carboxamide

3-amino-4-cyano-N-ethyl-5-(piperidin-4-ylamino)thiophene-2-carboxamide (PubChem CID 103525501) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 3-amino-4-cyano-N-ethyl-5-(piperidin-4-ylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-N-ethyl-5-(piperidin-4-ylamino)thiophene-2-carboxamide
PubChem CID103525501
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name3-amino-4-cyano-N-ethyl-5-(piperidin-4-ylamino)thiophene-2-carboxamide
SMILESCCNC(=O)c1sc(NC2CCNCC2)c(C#N)c1N
InChIInChI=1S/C13H19N5OS/c1-2-17-12(19)11-10(15)9(7-14)13(20-11)18-8-3-5-16-6-4-8/h8,16,18H,2-6,15H2,1H3,(H,17,19)
InChIKeyMTZZKGMBLLRBMR-UHFFFAOYSA-N
XLogP1.12
TPSA102.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-5-(2-methylpropanoyl)-2-(piperidin-4-ylamino)thiophene-3-carbonitrile
CID 103525525
3-amino-4-cyclopropyl-N-ethyl-5-(piperidin-4-ylamino)thiophene-2-carboxamide
CID 103525554
3-amino-4-cyano-N-ethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
CID 103526086
3-amino-4-cyano-5-[(2-methylcyclopropyl)amino]-N-propylthiophene-2-carboxamide
CID 103526118
4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carbonitrile
CID 103424692
4-amino-2-[(1-methylpiperidin-4-yl)amino]-5-propanoylthiophene-3-carbonitrile
CID 103427387
3-amino-5-(butylamino)-4-cyano-N-ethylthiophene-2-carboxamide
CID 103425201
3-amino-4-cyano-N,N-dimethyl-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxamide
CID 103426595
3-amino-5-(benzylamino)-4-cyano-N-ethylthiophene-2-carboxamide
CID 103424930
5-acetyl-4-amino-2-[(2-propylcyclopropyl)amino]thiophene-3-carbonitrile
CID 114112769
3-amino-4-cyano-N-ethyl-5-(4-hydroxypiperidin-1-yl)thiophene-2-carboxamide
CID 103418581
3-amino-4-cyano-5-(1-cyclopropylethylamino)-N-propylthiophene-2-carboxamide
CID 103427568

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-N-ethyl-5-(piperidin-4-ylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-N-ethyl-5-(piperidin-4-ylamino)thiophene-2-carboxamide (CID 103525501) is 3-amino-4-cyano-N-ethyl-5-(piperidin-4-ylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-N-ethyl-5-(piperidin-4-ylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-N-ethyl-5-(piperidin-4-ylamino)thiophene-2-carboxamide is CCNC(=O)c1sc(NC2CCNCC2)c(C#N)c1N.
What is the InChIKey of 3-amino-4-cyano-N-ethyl-5-(piperidin-4-ylamino)thiophene-2-carboxamide?
The InChIKey is MTZZKGMBLLRBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-2-17-12(19)11-10(15)9(7-14)13(20-11)18-8-3-5-16-6-4-8/h8,16,18H,2-6,15H2,1H3,(H,17,19).
What are the key properties of 3-amino-4-cyano-N-ethyl-5-(piperidin-4-ylamino)thiophene-2-carboxamide?
3-amino-4-cyano-N-ethyl-5-(piperidin-4-ylamino)thiophene-2-carboxamide has a molecular weight of 293.40 g/mol, XLogP of 1.12, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-N-ethyl-5-(piperidin-4-ylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103525501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).