4-(chloromethyl)-2-pyridin-2-yl-1,3-thiazole

C9H7ClN2S — CID 2120100

IUPAC4-(chloromethyl)-2-pyridin-2-yl-1,3-thiazole
SMILESClCc1csc(-c2ccccn2)n1
InChIInChI=1S/C9H7ClN2S/c10-5-7-6-13-9(12-7)8-3-1-2-4-11-8/h1-4,6H,5H2
InChIKeyVQPIMZRQQCTIHE-UHFFFAOYSA-N
MW210.69 g/mol
LogP2.94
Rot. Bonds2

About 4-(chloromethyl)-2-pyridin-2-yl-1,3-thiazole

4-(chloromethyl)-2-pyridin-2-yl-1,3-thiazole (PubChem CID 2120100) has the molecular formula C9H7ClN2S and a molecular weight of 210.69 g/mol. Its IUPAC name is 4-(chloromethyl)-2-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-pyridin-2-yl-1,3-thiazole
PubChem CID2120100
Molecular FormulaC9H7ClN2S
Molecular Weight210.69 g/mol
Exact Mass210.00
IUPAC Name4-(chloromethyl)-2-pyridin-2-yl-1,3-thiazole
SMILESClCc1csc(-c2ccccn2)n1
InChIInChI=1S/C9H7ClN2S/c10-5-7-6-13-9(12-7)8-3-1-2-4-11-8/h1-4,6H,5H2
InChIKeyVQPIMZRQQCTIHE-UHFFFAOYSA-N
XLogP2.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.69
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(chloromethyl)-2-pyridin-2-yl-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 4-(chloromethyl)-2-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-pyridin-2-yl-1,3-thiazole (CID 2120100) is 4-(chloromethyl)-2-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-pyridin-2-yl-1,3-thiazole is ClCc1csc(-c2ccccn2)n1.
What is the InChIKey of 4-(chloromethyl)-2-pyridin-2-yl-1,3-thiazole?
The InChIKey is VQPIMZRQQCTIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2S/c10-5-7-6-13-9(12-7)8-3-1-2-4-11-8/h1-4,6H,5H2.
What are the key properties of 4-(chloromethyl)-2-pyridin-2-yl-1,3-thiazole?
4-(chloromethyl)-2-pyridin-2-yl-1,3-thiazole has a molecular weight of 210.69 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 2120100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).