4-amino-2-[(1-methylpiperidin-4-yl)amino]-5-propanoylthiophene-3-carbonitrile

C14H20N4OS — CID 103427387

IUPAC4-amino-2-[(1-methylpiperidin-4-yl)amino]-5-propanoylthiophene-3-carbonitrile
SMILESCCC(=O)c1sc(NC2CCN(C)CC2)c(C#N)c1N
InChIInChI=1S/C14H20N4OS/c1-3-11(19)13-12(16)10(8-15)14(20-13)17-9-4-6-18(2)7-5-9/h9,17H,3-7,16H2,1-2H3
InChIKeyYADKTGISEIUOJF-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.30
Rot. Bonds4

About 4-amino-2-[(1-methylpiperidin-4-yl)amino]-5-propanoylthiophene-3-carbonitrile

4-amino-2-[(1-methylpiperidin-4-yl)amino]-5-propanoylthiophene-3-carbonitrile (PubChem CID 103427387) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 4-amino-2-[(1-methylpiperidin-4-yl)amino]-5-propanoylthiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-[(1-methylpiperidin-4-yl)amino]-5-propanoylthiophene-3-carbonitrile
PubChem CID103427387
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name4-amino-2-[(1-methylpiperidin-4-yl)amino]-5-propanoylthiophene-3-carbonitrile
SMILESCCC(=O)c1sc(NC2CCN(C)CC2)c(C#N)c1N
InChIInChI=1S/C14H20N4OS/c1-3-11(19)13-12(16)10(8-15)14(20-13)17-9-4-6-18(2)7-5-9/h9,17H,3-7,16H2,1-2H3
InChIKeyYADKTGISEIUOJF-UHFFFAOYSA-N
XLogP2.30
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carbonitrile
CID 103424692
4-amino-2-(2-piperidin-1-ylethylamino)-5-propanoylthiophene-3-carbonitrile
CID 103508622
3-amino-4-cyano-N-ethyl-5-(piperidin-4-ylamino)thiophene-2-carboxamide
CID 103525501
4-amino-2-(3-methoxypyrrolidin-1-yl)-5-propanoylthiophene-3-carbonitrile
CID 103542428
3-amino-4-cyano-N,N-dimethyl-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxamide
CID 103426595
4-amino-5-(2-methylpropanoyl)-2-(piperidin-4-ylamino)thiophene-3-carbonitrile
CID 103525525
1-[3-amino-5-(cyclopentylamino)-4-cyclopropylthiophen-2-yl]propan-1-one
CID 103423911
1-[3-amino-5-(cyclobutylamino)-4-cyclopropylthiophen-2-yl]propan-1-one
CID 103525907
1-[3-amino-5-(cyclobutylamino)-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103525894
4-amino-2-(cycloheptylamino)-5-propanoylthiophene-3-carboxamide
CID 103427111
4-amino-2-[3-(dimethylamino)propylamino]-5-propanoylthiophene-3-carbonitrile
CID 103426163
4-amino-5-propanoyl-2-(4-propan-2-ylpiperazin-1-yl)thiophene-3-carbonitrile
CID 103509152

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(1-methylpiperidin-4-yl)amino]-5-propanoylthiophene-3-carbonitrile?
The IUPAC name of 4-amino-2-[(1-methylpiperidin-4-yl)amino]-5-propanoylthiophene-3-carbonitrile (CID 103427387) is 4-amino-2-[(1-methylpiperidin-4-yl)amino]-5-propanoylthiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-2-[(1-methylpiperidin-4-yl)amino]-5-propanoylthiophene-3-carbonitrile?
The canonical SMILES for 4-amino-2-[(1-methylpiperidin-4-yl)amino]-5-propanoylthiophene-3-carbonitrile is CCC(=O)c1sc(NC2CCN(C)CC2)c(C#N)c1N.
What is the InChIKey of 4-amino-2-[(1-methylpiperidin-4-yl)amino]-5-propanoylthiophene-3-carbonitrile?
The InChIKey is YADKTGISEIUOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-3-11(19)13-12(16)10(8-15)14(20-13)17-9-4-6-18(2)7-5-9/h9,17H,3-7,16H2,1-2H3.
What are the key properties of 4-amino-2-[(1-methylpiperidin-4-yl)amino]-5-propanoylthiophene-3-carbonitrile?
4-amino-2-[(1-methylpiperidin-4-yl)amino]-5-propanoylthiophene-3-carbonitrile has a molecular weight of 292.41 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(1-methylpiperidin-4-yl)amino]-5-propanoylthiophene-3-carbonitrile is sourced from PubChem (CID 103427387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).