2-amino-6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile

C16H11N5O2S2 — CID 18893841

IUPAC2-amino-6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
SMILESCN1C(=O)CC(Sc2nc(N)c(C#N)c(-c3cccs3)c2C#N)C1=O
InChIInChI=1S/C16H11N5O2S2/c1-21-12(22)5-11(16(21)23)25-15-9(7-18)13(10-3-2-4-24-10)8(6-17)14(19)20-15/h2-4,11H,5H2,1H3,(H2,19,20)
InChIKeyMABSCRKPILKHDY-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.99
Rot. Bonds3

About 2-amino-6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile

2-amino-6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile (PubChem CID 18893841) has the molecular formula C16H11N5O2S2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-amino-6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
PubChem CID18893841
Molecular FormulaC16H11N5O2S2
Molecular Weight369.43 g/mol
Exact Mass369.04
IUPAC Name2-amino-6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
SMILESCN1C(=O)CC(Sc2nc(N)c(C#N)c(-c3cccs3)c2C#N)C1=O
InChIInChI=1S/C16H11N5O2S2/c1-21-12(22)5-11(16(21)23)25-15-9(7-18)13(10-3-2-4-24-10)8(6-17)14(19)20-15/h2-4,11H,5H2,1H3,(H2,19,20)
InChIKeyMABSCRKPILKHDY-UHFFFAOYSA-N
XLogP1.99
TPSA123.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-amino-6-(1-methyl-2,5-dioxopyrrolidin-3-yl)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-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile (CID 18893841) is 2-amino-6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile is CN1C(=O)CC(Sc2nc(N)c(C#N)c(-c3cccs3)c2C#N)C1=O.
What is the InChIKey of 2-amino-6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile?
The InChIKey is MABSCRKPILKHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O2S2/c1-21-12(22)5-11(16(21)23)25-15-9(7-18)13(10-3-2-4-24-10)8(6-17)14(19)20-15/h2-4,11H,5H2,1H3,(H2,19,20).
What are the key properties of 2-amino-6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile?
2-amino-6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile has a molecular weight of 369.43 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 18893841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).