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

C13H9ClN2S — CID 63222410

IUPAC4-(chloromethyl)-2-quinolin-2-yl-1,3-thiazole
SMILESClCc1csc(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C13H9ClN2S/c14-7-10-8-17-13(15-10)12-6-5-9-3-1-2-4-11(9)16-12/h1-6,8H,7H2
InChIKeyHTWJYVSCRNOASM-UHFFFAOYSA-N
MW260.75 g/mol
LogP4.10
Rot. Bonds2

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

4-(chloromethyl)-2-quinolin-2-yl-1,3-thiazole (PubChem CID 63222410) has the molecular formula C13H9ClN2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 4-(chloromethyl)-2-quinolin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-quinolin-2-yl-1,3-thiazole
PubChem CID63222410
Molecular FormulaC13H9ClN2S
Molecular Weight260.75 g/mol
Exact Mass260.02
IUPAC Name4-(chloromethyl)-2-quinolin-2-yl-1,3-thiazole
SMILESClCc1csc(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C13H9ClN2S/c14-7-10-8-17-13(15-10)12-6-5-9-3-1-2-4-11(9)16-12/h1-6,8H,7H2
InChIKeyHTWJYVSCRNOASM-UHFFFAOYSA-N
XLogP4.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-2-quinolin-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-quinolin-2-yl-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-quinolin-2-yl-1,3-thiazole (CID 63222410) is 4-(chloromethyl)-2-quinolin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-quinolin-2-yl-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-quinolin-2-yl-1,3-thiazole is ClCc1csc(-c2ccc3ccccc3n2)n1.
What is the InChIKey of 4-(chloromethyl)-2-quinolin-2-yl-1,3-thiazole?
The InChIKey is HTWJYVSCRNOASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2S/c14-7-10-8-17-13(15-10)12-6-5-9-3-1-2-4-11(9)16-12/h1-6,8H,7H2.
What are the key properties of 4-(chloromethyl)-2-quinolin-2-yl-1,3-thiazole?
4-(chloromethyl)-2-quinolin-2-yl-1,3-thiazole has a molecular weight of 260.75 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-quinolin-2-yl-1,3-thiazole is sourced from PubChem (CID 63222410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).