1,3-thiazole-2-carbonitrile

C4H2N2S — CID 15111480

IUPAC1,3-thiazole-2-carbonitrile
SMILESN#Cc1nccs1
InChIInChI=1S/C4H2N2S/c5-3-4-6-1-2-7-4/h1-2H
InChIKeyZIRGWUZHKJDYKT-UHFFFAOYSA-N
MW110.14 g/mol
LogP1.01
Rot. Bonds

About 1,3-thiazole-2-carbonitrile

1,3-thiazole-2-carbonitrile (PubChem CID 15111480) has the molecular formula C4H2N2S and a molecular weight of 110.14 g/mol. Its IUPAC name is 1,3-thiazole-2-carbonitrile.

Molecular Properties

Compound Name1,3-thiazole-2-carbonitrile
PubChem CID15111480
Molecular FormulaC4H2N2S
Molecular Weight110.14 g/mol
Exact Mass109.99
IUPAC Name1,3-thiazole-2-carbonitrile
SMILESN#Cc1nccs1
InChIInChI=1S/C4H2N2S/c5-3-4-6-1-2-7-4/h1-2H
InChIKeyZIRGWUZHKJDYKT-UHFFFAOYSA-N
XLogP1.01
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.14
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,3-thiazole-2-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 1,3-thiazole-2-carbonitrile?
The IUPAC name of 1,3-thiazole-2-carbonitrile (CID 15111480) is 1,3-thiazole-2-carbonitrile.
What is the SMILES notation for 1,3-thiazole-2-carbonitrile?
The canonical SMILES for 1,3-thiazole-2-carbonitrile is N#Cc1nccs1.
What is the InChIKey of 1,3-thiazole-2-carbonitrile?
The InChIKey is ZIRGWUZHKJDYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N2S/c5-3-4-6-1-2-7-4/h1-2H.
What are the key properties of 1,3-thiazole-2-carbonitrile?
1,3-thiazole-2-carbonitrile has a molecular weight of 110.14 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazole-2-carbonitrile is sourced from PubChem (CID 15111480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).