4-amino-5-(4-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile

C13H12ClN3OS2 — CID 155549136

IUPAC4-amino-5-(4-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile
SMILESCC(C)Nc1sc(C(=O)c2cc(Cl)cs2)c(N)c1C#N
InChIInChI=1S/C13H12ClN3OS2/c1-6(2)17-13-8(4-15)10(16)12(20-13)11(18)9-3-7(14)5-19-9/h3,5-6,17H,16H2,1-2H3
InChIKeyMOJNPFHPESDTIG-UHFFFAOYSA-N
MW325.85 g/mol
LogP3.97
Rot. Bonds4

About 4-amino-5-(4-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile

4-amino-5-(4-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile (PubChem CID 155549136) has the molecular formula C13H12ClN3OS2 and a molecular weight of 325.85 g/mol. Its IUPAC name is 4-amino-5-(4-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-5-(4-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile
PubChem CID155549136
Molecular FormulaC13H12ClN3OS2
Molecular Weight325.85 g/mol
Exact Mass325.01
IUPAC Name4-amino-5-(4-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile
SMILESCC(C)Nc1sc(C(=O)c2cc(Cl)cs2)c(N)c1C#N
InChIInChI=1S/C13H12ClN3OS2/c1-6(2)17-13-8(4-15)10(16)12(20-13)11(18)9-3-7(14)5-19-9/h3,5-6,17H,16H2,1-2H3
InChIKeyMOJNPFHPESDTIG-UHFFFAOYSA-N
XLogP3.97
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.85
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-5-(4-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)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

2-(Allylamino)-4-amino-5-[(5-bromo-2-thienyl)carbonyl]-3-thiophenecarbonitrile
CID 1893291
4-Amino-5-(5-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carboxamide
CID 2491127
4-Amino-5-[(5-chloro-2-thienyl)carbonyl]-2-(isopropylamino)-3-thiophenecarbonitrile
CID 47001335
4-Amino-2-(3-aminopropylamino)-5-(5-bromothiophene-2-carbonyl)thiophene-3-carbonitrile
CID 155510507
4-Amino-5-(5-iodothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile
CID 155521164
4-Amino-5-(5-chlorothiophene-2-carbonyl)-2-(ethylamino)thiophene-3-carbonitrile
CID 155522409
4-Amino-5-(5-bromothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile
CID 155522952
4-Amino-5-(4-bromothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile
CID 155523587
4-Amino-5-(5-chlorothiophene-2-carbonyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile
CID 155531664
4-Amino-5-(5-chlorothiophene-2-carbonyl)-2-(2-fluoroanilino)thiophene-3-carbonitrile
CID 155540962
4-Amino-5-(5-methylthiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile
CID 155566733
2-Allylamino-4-amino-5-(thiophene-2-carbonyl)-thiophene-3-carbonitrile
CID 653748

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(4-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile?
The IUPAC name of 4-amino-5-(4-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile (CID 155549136) is 4-amino-5-(4-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-5-(4-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile?
The canonical SMILES for 4-amino-5-(4-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile is CC(C)Nc1sc(C(=O)c2cc(Cl)cs2)c(N)c1C#N.
What is the InChIKey of 4-amino-5-(4-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile?
The InChIKey is MOJNPFHPESDTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3OS2/c1-6(2)17-13-8(4-15)10(16)12(20-13)11(18)9-3-7(14)5-19-9/h3,5-6,17H,16H2,1-2H3.
What are the key properties of 4-amino-5-(4-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile?
4-amino-5-(4-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile has a molecular weight of 325.85 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(4-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile is sourced from PubChem (CID 155549136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).