2-(4-chloro-1-methylpyrazol-3-yl)-4-(4-chlorophenyl)-1,3-thiazole

C13H9Cl2N3S — CID 2726922

IUPAC2-(4-chloro-1-methylpyrazol-3-yl)-4-(4-chlorophenyl)-1,3-thiazole
SMILESCn1cc(Cl)c(-c2nc(-c3ccc(Cl)cc3)cs2)n1
InChIInChI=1S/C13H9Cl2N3S/c1-18-6-10(15)12(17-18)13-16-11(7-19-13)8-2-4-9(14)5-3-8/h2-7H,1H3
InChIKeyLFMZXUBNUOGKCJ-UHFFFAOYSA-N
MW310.21 g/mol
LogP4.52
Rot. Bonds2

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

2-(4-chloro-1-methylpyrazol-3-yl)-4-(4-chlorophenyl)-1,3-thiazole (PubChem CID 2726922) has the molecular formula C13H9Cl2N3S and a molecular weight of 310.21 g/mol. Its IUPAC name is 2-(4-chloro-1-methylpyrazol-3-yl)-4-(4-chlorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chloro-1-methylpyrazol-3-yl)-4-(4-chlorophenyl)-1,3-thiazole
PubChem CID2726922
Molecular FormulaC13H9Cl2N3S
Molecular Weight310.21 g/mol
Exact Mass308.99
IUPAC Name2-(4-chloro-1-methylpyrazol-3-yl)-4-(4-chlorophenyl)-1,3-thiazole
SMILESCn1cc(Cl)c(-c2nc(-c3ccc(Cl)cc3)cs2)n1
InChIInChI=1S/C13H9Cl2N3S/c1-18-6-10(15)12(17-18)13-16-11(7-19-13)8-2-4-9(14)5-3-8/h2-7H,1H3
InChIKeyLFMZXUBNUOGKCJ-UHFFFAOYSA-N
XLogP4.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.21
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-1-methylpyrazol-3-yl)-4-(4-chlorophenyl)-1,3-thiazole 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-(4-chloro-1-methylpyrazol-3-yl)-4-(4-chlorophenyl)-1,3-thiazole?
The IUPAC name of 2-(4-chloro-1-methylpyrazol-3-yl)-4-(4-chlorophenyl)-1,3-thiazole (CID 2726922) is 2-(4-chloro-1-methylpyrazol-3-yl)-4-(4-chlorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-chloro-1-methylpyrazol-3-yl)-4-(4-chlorophenyl)-1,3-thiazole?
The canonical SMILES for 2-(4-chloro-1-methylpyrazol-3-yl)-4-(4-chlorophenyl)-1,3-thiazole is Cn1cc(Cl)c(-c2nc(-c3ccc(Cl)cc3)cs2)n1.
What is the InChIKey of 2-(4-chloro-1-methylpyrazol-3-yl)-4-(4-chlorophenyl)-1,3-thiazole?
The InChIKey is LFMZXUBNUOGKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3S/c1-18-6-10(15)12(17-18)13-16-11(7-19-13)8-2-4-9(14)5-3-8/h2-7H,1H3.
What are the key properties of 2-(4-chloro-1-methylpyrazol-3-yl)-4-(4-chlorophenyl)-1,3-thiazole?
2-(4-chloro-1-methylpyrazol-3-yl)-4-(4-chlorophenyl)-1,3-thiazole has a molecular weight of 310.21 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-methylpyrazol-3-yl)-4-(4-chlorophenyl)-1,3-thiazole is sourced from PubChem (CID 2726922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).