2-amino-6-(4-chlorophenyl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile

C17H9ClN4S2 — CID 2818995

IUPAC2-amino-6-(4-chlorophenyl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(Sc2ccc(Cl)cc2)c(C#N)c1-c1cccs1
InChIInChI=1S/C17H9ClN4S2/c18-10-3-5-11(6-4-10)24-17-13(9-20)15(14-2-1-7-23-14)12(8-19)16(21)22-17/h1-7H,(H2,21,22)
InChIKeyUBNXMKPGDJTAIT-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.94
Rot. Bonds3

About 2-amino-6-(4-chlorophenyl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile

2-amino-6-(4-chlorophenyl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile (PubChem CID 2818995) has the molecular formula C17H9ClN4S2 and a molecular weight of 368.87 g/mol. Its IUPAC name is 2-amino-6-(4-chlorophenyl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-chlorophenyl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
PubChem CID2818995
Molecular FormulaC17H9ClN4S2
Molecular Weight368.87 g/mol
Exact Mass368.00
IUPAC Name2-amino-6-(4-chlorophenyl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(Sc2ccc(Cl)cc2)c(C#N)c1-c1cccs1
InChIInChI=1S/C17H9ClN4S2/c18-10-3-5-11(6-4-10)24-17-13(9-20)15(14-2-1-7-23-14)12(8-19)16(21)22-17/h1-7H,(H2,21,22)
InChIKeyUBNXMKPGDJTAIT-UHFFFAOYSA-N
XLogP4.94
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-6-(4-chlorophenyl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile 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 2-amino-6-(4-chlorophenyl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(4-chlorophenyl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile (CID 2818995) is 2-amino-6-(4-chlorophenyl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(4-chlorophenyl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(4-chlorophenyl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(Sc2ccc(Cl)cc2)c(C#N)c1-c1cccs1.
What is the InChIKey of 2-amino-6-(4-chlorophenyl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile?
The InChIKey is UBNXMKPGDJTAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClN4S2/c18-10-3-5-11(6-4-10)24-17-13(9-20)15(14-2-1-7-23-14)12(8-19)16(21)22-17/h1-7H,(H2,21,22).
What are the key properties of 2-amino-6-(4-chlorophenyl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile?
2-amino-6-(4-chlorophenyl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile has a molecular weight of 368.87 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-chlorophenyl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 2818995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).