4-amino-2-(ethylamino)-5-(4-methylbenzoyl)thiophene-3-carbonitrile

C15H15N3OS — CID 3701351

IUPAC4-amino-2-(ethylamino)-5-(4-methylbenzoyl)thiophene-3-carbonitrile
SMILESCCNc1sc(C(=O)c2ccc(C)cc2)c(N)c1C#N
InChIInChI=1S/C15H15N3OS/c1-3-18-15-11(8-16)12(17)14(20-15)13(19)10-6-4-9(2)5-7-10/h4-7,18H,3,17H2,1-2H3
InChIKeyGHNHDAOJQMPEPJ-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.17
Rot. Bonds4

About 4-amino-2-(ethylamino)-5-(4-methylbenzoyl)thiophene-3-carbonitrile

4-amino-2-(ethylamino)-5-(4-methylbenzoyl)thiophene-3-carbonitrile (PubChem CID 3701351) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-amino-2-(ethylamino)-5-(4-methylbenzoyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(ethylamino)-5-(4-methylbenzoyl)thiophene-3-carbonitrile
PubChem CID3701351
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name4-amino-2-(ethylamino)-5-(4-methylbenzoyl)thiophene-3-carbonitrile
SMILESCCNc1sc(C(=O)c2ccc(C)cc2)c(N)c1C#N
InChIInChI=1S/C15H15N3OS/c1-3-18-15-11(8-16)12(17)14(20-15)13(19)10-6-4-9(2)5-7-10/h4-7,18H,3,17H2,1-2H3
InChIKeyGHNHDAOJQMPEPJ-UHFFFAOYSA-N
XLogP3.17
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-2-(ethylamino)-5-(4-methylbenzoyl)thiophene-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(ethylamino)-5-(4-methylbenzoyl)thiophene-3-carbonitrile?
The IUPAC name of 4-amino-2-(ethylamino)-5-(4-methylbenzoyl)thiophene-3-carbonitrile (CID 3701351) is 4-amino-2-(ethylamino)-5-(4-methylbenzoyl)thiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-2-(ethylamino)-5-(4-methylbenzoyl)thiophene-3-carbonitrile?
The canonical SMILES for 4-amino-2-(ethylamino)-5-(4-methylbenzoyl)thiophene-3-carbonitrile is CCNc1sc(C(=O)c2ccc(C)cc2)c(N)c1C#N.
What is the InChIKey of 4-amino-2-(ethylamino)-5-(4-methylbenzoyl)thiophene-3-carbonitrile?
The InChIKey is GHNHDAOJQMPEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-3-18-15-11(8-16)12(17)14(20-15)13(19)10-6-4-9(2)5-7-10/h4-7,18H,3,17H2,1-2H3.
What are the key properties of 4-amino-2-(ethylamino)-5-(4-methylbenzoyl)thiophene-3-carbonitrile?
4-amino-2-(ethylamino)-5-(4-methylbenzoyl)thiophene-3-carbonitrile has a molecular weight of 285.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(ethylamino)-5-(4-methylbenzoyl)thiophene-3-carbonitrile is sourced from PubChem (CID 3701351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).