3-amino-4-cyclopropyl-5-(4-propylpiperazin-1-yl)thiophene-2-carbonitrile

C15H22N4S — CID 103418683

IUPAC3-amino-4-cyclopropyl-5-(4-propylpiperazin-1-yl)thiophene-2-carbonitrile
SMILESCCCN1CCN(c2sc(C#N)c(N)c2C2CC2)CC1
InChIInChI=1S/C15H22N4S/c1-2-5-18-6-8-19(9-7-18)15-13(11-3-4-11)14(17)12(10-16)20-15/h11H,2-9,17H2,1H3
InChIKeyGLSQATFKFIXGFH-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.61
Rot. Bonds4

About 3-amino-4-cyclopropyl-5-(4-propylpiperazin-1-yl)thiophene-2-carbonitrile

3-amino-4-cyclopropyl-5-(4-propylpiperazin-1-yl)thiophene-2-carbonitrile (PubChem CID 103418683) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-5-(4-propylpiperazin-1-yl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-5-(4-propylpiperazin-1-yl)thiophene-2-carbonitrile
PubChem CID103418683
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name3-amino-4-cyclopropyl-5-(4-propylpiperazin-1-yl)thiophene-2-carbonitrile
SMILESCCCN1CCN(c2sc(C#N)c(N)c2C2CC2)CC1
InChIInChI=1S/C15H22N4S/c1-2-5-18-6-8-19(9-7-18)15-13(11-3-4-11)14(17)12(10-16)20-15/h11H,2-9,17H2,1H3
InChIKeyGLSQATFKFIXGFH-UHFFFAOYSA-N
XLogP2.61
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-cyclopropylthiophene-2-carbonitrile
CID 103505429
3-amino-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarbonitrile
CID 103419314
3-amino-4-cyclopropyl-5-methylsulfanylthiophene-2-carbonitrile
CID 103526708
3-amino-5-(4-ethylazepan-1-yl)-4-methoxythiophene-2-carbonitrile
CID 103422587
1-[3-amino-4-cyclopropyl-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone
CID 103419343
3-amino-5-[4-(2-methylpropyl)piperazin-1-yl]-4-methylsulfanylthiophene-2-carbonitrile
CID 103421393
3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]thiophene-2,4-dicarbonitrile
CID 106840057
1-[3-amino-4-cyclopropyl-5-(4-ethylazepan-1-yl)thiophen-2-yl]ethanone
CID 103422591
4-cyclopropylsulfonyl-5-(4-propylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103349182
3-amino-5-pyrrolidin-1-ylthiophene-2,4-dicarbonitrile
CID 102162761
3-amino-4-ethylsulfonyl-5-(4-methylazepan-1-yl)thiophene-2-carbonitrile
CID 103422050
methyl 4-amino-5-cyano-2-(3-ethylpiperidin-1-yl)thiophene-3-carboxylate
CID 103509083

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-5-(4-propylpiperazin-1-yl)thiophene-2-carbonitrile?
The IUPAC name of 3-amino-4-cyclopropyl-5-(4-propylpiperazin-1-yl)thiophene-2-carbonitrile (CID 103418683) is 3-amino-4-cyclopropyl-5-(4-propylpiperazin-1-yl)thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-4-cyclopropyl-5-(4-propylpiperazin-1-yl)thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-4-cyclopropyl-5-(4-propylpiperazin-1-yl)thiophene-2-carbonitrile is CCCN1CCN(c2sc(C#N)c(N)c2C2CC2)CC1.
What is the InChIKey of 3-amino-4-cyclopropyl-5-(4-propylpiperazin-1-yl)thiophene-2-carbonitrile?
The InChIKey is GLSQATFKFIXGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-2-5-18-6-8-19(9-7-18)15-13(11-3-4-11)14(17)12(10-16)20-15/h11H,2-9,17H2,1H3.
What are the key properties of 3-amino-4-cyclopropyl-5-(4-propylpiperazin-1-yl)thiophene-2-carbonitrile?
3-amino-4-cyclopropyl-5-(4-propylpiperazin-1-yl)thiophene-2-carbonitrile has a molecular weight of 290.44 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclopropyl-5-(4-propylpiperazin-1-yl)thiophene-2-carbonitrile is sourced from PubChem (CID 103418683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).