5-acetyl-4-amino-2-[(4-methylphenyl)methylamino]thiophene-3-carbonitrile

C15H15N3OS — CID 103426327

IUPAC5-acetyl-4-amino-2-[(4-methylphenyl)methylamino]thiophene-3-carbonitrile
SMILESCC(=O)c1sc(NCc2ccc(C)cc2)c(C#N)c1N
InChIInChI=1S/C15H15N3OS/c1-9-3-5-11(6-4-9)8-18-15-12(7-16)13(17)14(20-15)10(2)19/h3-6,18H,8,17H2,1-2H3
InChIKeyGESAAGNVVJRCNQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.33
Rot. Bonds4

About 5-acetyl-4-amino-2-[(4-methylphenyl)methylamino]thiophene-3-carbonitrile

5-acetyl-4-amino-2-[(4-methylphenyl)methylamino]thiophene-3-carbonitrile (PubChem CID 103426327) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-acetyl-4-amino-2-[(4-methylphenyl)methylamino]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-acetyl-4-amino-2-[(4-methylphenyl)methylamino]thiophene-3-carbonitrile
PubChem CID103426327
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name5-acetyl-4-amino-2-[(4-methylphenyl)methylamino]thiophene-3-carbonitrile
SMILESCC(=O)c1sc(NCc2ccc(C)cc2)c(C#N)c1N
InChIInChI=1S/C15H15N3OS/c1-9-3-5-11(6-4-9)8-18-15-12(7-16)13(17)14(20-15)10(2)19/h3-6,18H,8,17H2,1-2H3
InChIKeyGESAAGNVVJRCNQ-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-acetyl-4-amino-2-[(4-methylphenyl)methylamino]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

Related Compounds

3-amino-5-(benzylamino)-4-cyano-N-ethylthiophene-2-carboxamide
CID 103424930
4-amino-5-propanoyl-2-(pyridin-4-ylmethylamino)thiophene-3-carbonitrile
CID 103426681
3-amino-4-cyano-5-[(2-methylphenyl)methylamino]thiophene-2-carboxamide
CID 103432089
5-acetyl-4-amino-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carbonitrile
CID 106296531
3-amino-5-[(4-fluorophenyl)methylamino]thiophene-2,4-dicarbonitrile
CID 103425980
3-amino-4-cyano-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide
CID 103507784
5-acetyl-4-amino-2-(oxolan-2-ylmethylamino)thiophene-3-carbonitrile
CID 103426505
5-acetyl-4-amino-2-(3-imidazol-1-ylpropylamino)thiophene-3-carbonitrile
CID 103426816
5-acetyl-4-amino-2-[(1-methylpyrrolidin-2-yl)methylamino]thiophene-3-carbonitrile
CID 106029461
1-[3-amino-4-methoxy-5-[(3-methylphenyl)methylamino]thiophen-2-yl]ethanone
CID 103432141
5-acetyl-4-amino-2-(pyridin-4-ylmethylamino)thiophene-3-carboxamide
CID 103426726
ethyl 3-amino-4-cyano-5-(2-methylprop-2-enylamino)thiophene-2-carboxylate
CID 103507365

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-amino-2-[(4-methylphenyl)methylamino]thiophene-3-carbonitrile?
The IUPAC name of 5-acetyl-4-amino-2-[(4-methylphenyl)methylamino]thiophene-3-carbonitrile (CID 103426327) is 5-acetyl-4-amino-2-[(4-methylphenyl)methylamino]thiophene-3-carbonitrile.
What is the SMILES notation for 5-acetyl-4-amino-2-[(4-methylphenyl)methylamino]thiophene-3-carbonitrile?
The canonical SMILES for 5-acetyl-4-amino-2-[(4-methylphenyl)methylamino]thiophene-3-carbonitrile is CC(=O)c1sc(NCc2ccc(C)cc2)c(C#N)c1N.
What is the InChIKey of 5-acetyl-4-amino-2-[(4-methylphenyl)methylamino]thiophene-3-carbonitrile?
The InChIKey is GESAAGNVVJRCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-9-3-5-11(6-4-9)8-18-15-12(7-16)13(17)14(20-15)10(2)19/h3-6,18H,8,17H2,1-2H3.
What are the key properties of 5-acetyl-4-amino-2-[(4-methylphenyl)methylamino]thiophene-3-carbonitrile?
5-acetyl-4-amino-2-[(4-methylphenyl)methylamino]thiophene-3-carbonitrile has a molecular weight of 285.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-amino-2-[(4-methylphenyl)methylamino]thiophene-3-carbonitrile is sourced from PubChem (CID 103426327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).