4-amino-5-propanoyl-2-(4-propan-2-ylpiperazin-1-yl)thiophene-3-carbonitrile

C15H22N4OS — CID 103509152

IUPAC4-amino-5-propanoyl-2-(4-propan-2-ylpiperazin-1-yl)thiophene-3-carbonitrile
SMILESCCC(=O)c1sc(N2CCN(C(C)C)CC2)c(C#N)c1N
InChIInChI=1S/C15H22N4OS/c1-4-12(20)14-13(17)11(9-16)15(21-14)19-7-5-18(6-8-19)10(2)3/h10H,4-8,17H2,1-3H3
InChIKeyDYEOQJBXRQQPRE-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.33
Rot. Bonds4

About 4-amino-5-propanoyl-2-(4-propan-2-ylpiperazin-1-yl)thiophene-3-carbonitrile

4-amino-5-propanoyl-2-(4-propan-2-ylpiperazin-1-yl)thiophene-3-carbonitrile (PubChem CID 103509152) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 4-amino-5-propanoyl-2-(4-propan-2-ylpiperazin-1-yl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-5-propanoyl-2-(4-propan-2-ylpiperazin-1-yl)thiophene-3-carbonitrile
PubChem CID103509152
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name4-amino-5-propanoyl-2-(4-propan-2-ylpiperazin-1-yl)thiophene-3-carbonitrile
SMILESCCC(=O)c1sc(N2CCN(C(C)C)CC2)c(C#N)c1N
InChIInChI=1S/C15H22N4OS/c1-4-12(20)14-13(17)11(9-16)15(21-14)19-7-5-18(6-8-19)10(2)3/h10H,4-8,17H2,1-3H3
InChIKeyDYEOQJBXRQQPRE-UHFFFAOYSA-N
XLogP2.33
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(4-ethylpiperazin-1-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile
CID 103418768
4-amino-2-(2,2-dimethylthiomorpholin-4-yl)-5-propanoylthiophene-3-carbonitrile
CID 103506670
4-amino-2-(3-methoxypyrrolidin-1-yl)-5-propanoylthiophene-3-carbonitrile
CID 103542428
ethyl 3-amino-4-cyano-5-piperidin-1-ylthiophene-2-carboxylate
CID 14579843
5-acetyl-4-amino-2-(4,4-dimethylpiperidin-1-yl)thiophene-3-carbonitrile
CID 103421724
methyl 3-amino-4-cyano-5-(4-ethylpiperidin-1-yl)thiophene-2-carboxylate
CID 103417965
5-acetyl-4-amino-2-(4-hydroxy-4-methylpiperidin-1-yl)thiophene-3-carbonitrile
CID 103505534
3-amino-4-cyano-N-ethyl-5-(4-hydroxypiperidin-1-yl)thiophene-2-carboxamide
CID 103418581
methyl 3-amino-4-cyano-5-(1,1-dioxo-1,4-thiazinan-4-yl)thiophene-2-carboxylate
CID 103509270
3-amino-4-cyano-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxamide
CID 103506254
5-acetyl-4-amino-2-(3-ethylpyrrolidin-1-yl)thiophene-3-carbonitrile
CID 103506125
4-amino-2-[(1-methylpiperidin-4-yl)amino]-5-propanoylthiophene-3-carbonitrile
CID 103427387

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-propanoyl-2-(4-propan-2-ylpiperazin-1-yl)thiophene-3-carbonitrile?
The IUPAC name of 4-amino-5-propanoyl-2-(4-propan-2-ylpiperazin-1-yl)thiophene-3-carbonitrile (CID 103509152) is 4-amino-5-propanoyl-2-(4-propan-2-ylpiperazin-1-yl)thiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-5-propanoyl-2-(4-propan-2-ylpiperazin-1-yl)thiophene-3-carbonitrile?
The canonical SMILES for 4-amino-5-propanoyl-2-(4-propan-2-ylpiperazin-1-yl)thiophene-3-carbonitrile is CCC(=O)c1sc(N2CCN(C(C)C)CC2)c(C#N)c1N.
What is the InChIKey of 4-amino-5-propanoyl-2-(4-propan-2-ylpiperazin-1-yl)thiophene-3-carbonitrile?
The InChIKey is DYEOQJBXRQQPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-4-12(20)14-13(17)11(9-16)15(21-14)19-7-5-18(6-8-19)10(2)3/h10H,4-8,17H2,1-3H3.
What are the key properties of 4-amino-5-propanoyl-2-(4-propan-2-ylpiperazin-1-yl)thiophene-3-carbonitrile?
4-amino-5-propanoyl-2-(4-propan-2-ylpiperazin-1-yl)thiophene-3-carbonitrile has a molecular weight of 306.44 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-propanoyl-2-(4-propan-2-ylpiperazin-1-yl)thiophene-3-carbonitrile is sourced from PubChem (CID 103509152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).