2-methylsulfanyl-5-(1,2-oxazol-3-yl)-4-thiophen-2-ylthiophene-3-carbonitrile

C13H8N2OS3 — CID 2821094

IUPAC2-methylsulfanyl-5-(1,2-oxazol-3-yl)-4-thiophen-2-ylthiophene-3-carbonitrile
SMILESCSc1sc(-c2ccon2)c(-c2cccs2)c1C#N
InChIInChI=1S/C13H8N2OS3/c1-17-13-8(7-14)11(10-3-2-6-18-10)12(19-13)9-4-5-16-15-9/h2-6H,1H3
InChIKeyPHGPGUOSKRKLSD-UHFFFAOYSA-N
MW304.42 g/mol
LogP4.73
Rot. Bonds3

About 2-methylsulfanyl-5-(1,2-oxazol-3-yl)-4-thiophen-2-ylthiophene-3-carbonitrile

2-methylsulfanyl-5-(1,2-oxazol-3-yl)-4-thiophen-2-ylthiophene-3-carbonitrile (PubChem CID 2821094) has the molecular formula C13H8N2OS3 and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-methylsulfanyl-5-(1,2-oxazol-3-yl)-4-thiophen-2-ylthiophene-3-carbonitrile.

Molecular Properties

Compound Name2-methylsulfanyl-5-(1,2-oxazol-3-yl)-4-thiophen-2-ylthiophene-3-carbonitrile
PubChem CID2821094
Molecular FormulaC13H8N2OS3
Molecular Weight304.42 g/mol
Exact Mass303.98
IUPAC Name2-methylsulfanyl-5-(1,2-oxazol-3-yl)-4-thiophen-2-ylthiophene-3-carbonitrile
SMILESCSc1sc(-c2ccon2)c(-c2cccs2)c1C#N
InChIInChI=1S/C13H8N2OS3/c1-17-13-8(7-14)11(10-3-2-6-18-10)12(19-13)9-4-5-16-15-9/h2-6H,1H3
InChIKeyPHGPGUOSKRKLSD-UHFFFAOYSA-N
XLogP4.73
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methylsulfanyl-5-(1,2-oxazol-3-yl)-4-thiophen-2-ylthiophene-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 2-methylsulfanyl-5-(1,2-oxazol-3-yl)-4-thiophen-2-ylthiophene-3-carbonitrile?
The IUPAC name of 2-methylsulfanyl-5-(1,2-oxazol-3-yl)-4-thiophen-2-ylthiophene-3-carbonitrile (CID 2821094) is 2-methylsulfanyl-5-(1,2-oxazol-3-yl)-4-thiophen-2-ylthiophene-3-carbonitrile.
What is the SMILES notation for 2-methylsulfanyl-5-(1,2-oxazol-3-yl)-4-thiophen-2-ylthiophene-3-carbonitrile?
The canonical SMILES for 2-methylsulfanyl-5-(1,2-oxazol-3-yl)-4-thiophen-2-ylthiophene-3-carbonitrile is CSc1sc(-c2ccon2)c(-c2cccs2)c1C#N.
What is the InChIKey of 2-methylsulfanyl-5-(1,2-oxazol-3-yl)-4-thiophen-2-ylthiophene-3-carbonitrile?
The InChIKey is PHGPGUOSKRKLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2OS3/c1-17-13-8(7-14)11(10-3-2-6-18-10)12(19-13)9-4-5-16-15-9/h2-6H,1H3.
What are the key properties of 2-methylsulfanyl-5-(1,2-oxazol-3-yl)-4-thiophen-2-ylthiophene-3-carbonitrile?
2-methylsulfanyl-5-(1,2-oxazol-3-yl)-4-thiophen-2-ylthiophene-3-carbonitrile has a molecular weight of 304.42 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-(1,2-oxazol-3-yl)-4-thiophen-2-ylthiophene-3-carbonitrile is sourced from PubChem (CID 2821094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).