2-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carbonitrile

C8H6N4S — CID 125449136

IUPAC2-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carbonitrile
SMILESCn1ccc(-c2nc(C#N)cs2)n1
InChIInChI=1S/C8H6N4S/c1-12-3-2-7(11-12)8-10-6(4-9)5-13-8/h2-3,5H,1H3
InChIKeyHTVWFVYPWGLNTJ-UHFFFAOYSA-N
MW190.23 g/mol
LogP1.42
Rot. Bonds1

About 2-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carbonitrile

2-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carbonitrile (PubChem CID 125449136) has the molecular formula C8H6N4S and a molecular weight of 190.23 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carbonitrile
PubChem CID125449136
Molecular FormulaC8H6N4S
Molecular Weight190.23 g/mol
Exact Mass190.03
IUPAC Name2-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carbonitrile
SMILESCn1ccc(-c2nc(C#N)cs2)n1
InChIInChI=1S/C8H6N4S/c1-12-3-2-7(11-12)8-10-6(4-9)5-13-8/h2-3,5H,1H3
InChIKeyHTVWFVYPWGLNTJ-UHFFFAOYSA-N
XLogP1.42
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1-methylpyrazol-3-yl)-1,3-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 2-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carbonitrile?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carbonitrile (CID 125449136) is 2-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carbonitrile?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carbonitrile is Cn1ccc(-c2nc(C#N)cs2)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carbonitrile?
The InChIKey is HTVWFVYPWGLNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4S/c1-12-3-2-7(11-12)8-10-6(4-9)5-13-8/h2-3,5H,1H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carbonitrile?
2-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carbonitrile has a molecular weight of 190.23 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 125449136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).