5-methylsulfanyl-1,2-thiazole-4-carbonitrile

C5H4N2S2 — CID 82416073

IUPAC5-methylsulfanyl-1,2-thiazole-4-carbonitrile
SMILESCSc1sncc1C#N
InChIInChI=1S/C5H4N2S2/c1-8-5-4(2-6)3-7-9-5/h3H,1H3
InChIKeyJIYBAJRTBYMHBJ-UHFFFAOYSA-N
MW156.24 g/mol
LogP1.74
Rot. Bonds1

About 5-methylsulfanyl-1,2-thiazole-4-carbonitrile

5-methylsulfanyl-1,2-thiazole-4-carbonitrile (PubChem CID 82416073) has the molecular formula C5H4N2S2 and a molecular weight of 156.24 g/mol. Its IUPAC name is 5-methylsulfanyl-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-methylsulfanyl-1,2-thiazole-4-carbonitrile
PubChem CID82416073
Molecular FormulaC5H4N2S2
Molecular Weight156.24 g/mol
Exact Mass155.98
IUPAC Name5-methylsulfanyl-1,2-thiazole-4-carbonitrile
SMILESCSc1sncc1C#N
InChIInChI=1S/C5H4N2S2/c1-8-5-4(2-6)3-7-9-5/h3H,1H3
InChIKeyJIYBAJRTBYMHBJ-UHFFFAOYSA-N
XLogP1.74
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methylsulfanyl-1,2-thiazole-4-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 5-methylsulfanyl-1,2-thiazole-4-carbonitrile?
The IUPAC name of 5-methylsulfanyl-1,2-thiazole-4-carbonitrile (CID 82416073) is 5-methylsulfanyl-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 5-methylsulfanyl-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 5-methylsulfanyl-1,2-thiazole-4-carbonitrile is CSc1sncc1C#N.
What is the InChIKey of 5-methylsulfanyl-1,2-thiazole-4-carbonitrile?
The InChIKey is JIYBAJRTBYMHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2S2/c1-8-5-4(2-6)3-7-9-5/h3H,1H3.
What are the key properties of 5-methylsulfanyl-1,2-thiazole-4-carbonitrile?
5-methylsulfanyl-1,2-thiazole-4-carbonitrile has a molecular weight of 156.24 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 82416073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).