4-amino-2-(4-ethylpiperazin-1-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile

C15H22N4OS — CID 103418768

IUPAC4-amino-2-(4-ethylpiperazin-1-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile
SMILESCCN1CCN(c2sc(C(=O)C(C)C)c(N)c2C#N)CC1
InChIInChI=1S/C15H22N4OS/c1-4-18-5-7-19(8-6-18)15-11(9-16)12(17)14(21-15)13(20)10(2)3/h10H,4-8,17H2,1-3H3
InChIKeyBVPMRXHMUXTWBD-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.18
Rot. Bonds4

About 4-amino-2-(4-ethylpiperazin-1-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile

4-amino-2-(4-ethylpiperazin-1-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile (PubChem CID 103418768) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 4-amino-2-(4-ethylpiperazin-1-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(4-ethylpiperazin-1-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile
PubChem CID103418768
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name4-amino-2-(4-ethylpiperazin-1-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile
SMILESCCN1CCN(c2sc(C(=O)C(C)C)c(N)c2C#N)CC1
InChIInChI=1S/C15H22N4OS/c1-4-18-5-7-19(8-6-18)15-11(9-16)12(17)14(21-15)13(20)10(2)3/h10H,4-8,17H2,1-3H3
InChIKeyBVPMRXHMUXTWBD-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-ethylpiperazin-1-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile?
The IUPAC name of 4-amino-2-(4-ethylpiperazin-1-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile (CID 103418768) is 4-amino-2-(4-ethylpiperazin-1-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-2-(4-ethylpiperazin-1-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile?
The canonical SMILES for 4-amino-2-(4-ethylpiperazin-1-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile is CCN1CCN(c2sc(C(=O)C(C)C)c(N)c2C#N)CC1.
What is the InChIKey of 4-amino-2-(4-ethylpiperazin-1-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile?
The InChIKey is BVPMRXHMUXTWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-4-18-5-7-19(8-6-18)15-11(9-16)12(17)14(21-15)13(20)10(2)3/h10H,4-8,17H2,1-3H3.
What are the key properties of 4-amino-2-(4-ethylpiperazin-1-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile?
4-amino-2-(4-ethylpiperazin-1-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile has a molecular weight of 306.44 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-ethylpiperazin-1-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile is sourced from PubChem (CID 103418768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).