4-amino-5-(2-methylpropanoyl)-2-(piperidin-4-ylamino)thiophene-3-carbonitrile

C14H20N4OS — CID 103525525

IUPAC4-amino-5-(2-methylpropanoyl)-2-(piperidin-4-ylamino)thiophene-3-carbonitrile
SMILESCC(C)C(=O)c1sc(NC2CCNCC2)c(C#N)c1N
InChIInChI=1S/C14H20N4OS/c1-8(2)12(19)13-11(16)10(7-15)14(20-13)18-9-3-5-17-6-4-9/h8-9,17-18H,3-6,16H2,1-2H3
InChIKeyXOMMPBCXRGXCQL-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.20
Rot. Bonds4

About 4-amino-5-(2-methylpropanoyl)-2-(piperidin-4-ylamino)thiophene-3-carbonitrile

4-amino-5-(2-methylpropanoyl)-2-(piperidin-4-ylamino)thiophene-3-carbonitrile (PubChem CID 103525525) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 4-amino-5-(2-methylpropanoyl)-2-(piperidin-4-ylamino)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-5-(2-methylpropanoyl)-2-(piperidin-4-ylamino)thiophene-3-carbonitrile
PubChem CID103525525
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name4-amino-5-(2-methylpropanoyl)-2-(piperidin-4-ylamino)thiophene-3-carbonitrile
SMILESCC(C)C(=O)c1sc(NC2CCNCC2)c(C#N)c1N
InChIInChI=1S/C14H20N4OS/c1-8(2)12(19)13-11(16)10(7-15)14(20-13)18-9-3-5-17-6-4-9/h8-9,17-18H,3-6,16H2,1-2H3
InChIKeyXOMMPBCXRGXCQL-UHFFFAOYSA-N
XLogP2.20
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-cyano-N-ethyl-5-(piperidin-4-ylamino)thiophene-2-carboxamide
CID 103525501
1-[3-amino-4-cyclopropyl-5-(cyclopropylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103423663
4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carbonitrile
CID 103424692
3-amino-4-cyano-N,N-dimethyl-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxamide
CID 103426595
4-amino-2-(cyclopropylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide
CID 103423685
4-amino-2-[(1-methylpiperidin-4-yl)amino]-5-propanoylthiophene-3-carbonitrile
CID 103427387
1-[3-amino-5-(cyclobutylamino)-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one
CID 103525936
3-amino-N-methyl-5-(piperidin-4-ylamino)-4-propan-2-yloxythiophene-2-carboxamide
CID 103525562
4-amino-2-(3-hydroxypyrrolidin-1-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile
CID 103421663
1-[3-amino-4-methoxy-5-(piperidin-4-ylamino)thiophen-2-yl]ethanone
CID 103525555
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-methylpropanoyl)-2-(piperidin-4-ylamino)thiophene-3-carbonitrile?
The IUPAC name of 4-amino-5-(2-methylpropanoyl)-2-(piperidin-4-ylamino)thiophene-3-carbonitrile (CID 103525525) is 4-amino-5-(2-methylpropanoyl)-2-(piperidin-4-ylamino)thiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-5-(2-methylpropanoyl)-2-(piperidin-4-ylamino)thiophene-3-carbonitrile?
The canonical SMILES for 4-amino-5-(2-methylpropanoyl)-2-(piperidin-4-ylamino)thiophene-3-carbonitrile is CC(C)C(=O)c1sc(NC2CCNCC2)c(C#N)c1N.
What is the InChIKey of 4-amino-5-(2-methylpropanoyl)-2-(piperidin-4-ylamino)thiophene-3-carbonitrile?
The InChIKey is XOMMPBCXRGXCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-8(2)12(19)13-11(16)10(7-15)14(20-13)18-9-3-5-17-6-4-9/h8-9,17-18H,3-6,16H2,1-2H3.
What are the key properties of 4-amino-5-(2-methylpropanoyl)-2-(piperidin-4-ylamino)thiophene-3-carbonitrile?
4-amino-5-(2-methylpropanoyl)-2-(piperidin-4-ylamino)thiophene-3-carbonitrile has a molecular weight of 292.41 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-methylpropanoyl)-2-(piperidin-4-ylamino)thiophene-3-carbonitrile is sourced from PubChem (CID 103525525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).