3-chloro-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazole

C12H8ClN3S — CID 81221409

IUPAC3-chloro-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazole
SMILESCc1ccc2cc(-c3nsnc3Cl)ccc2n1
InChIInChI=1S/C12H8ClN3S/c1-7-2-3-8-6-9(4-5-10(8)14-7)11-12(13)16-17-15-11/h2-6H,1H3
InChIKeyRVOMPWVTEGKQEY-UHFFFAOYSA-N
MW261.74 g/mol
LogP3.72
Rot. Bonds1

About 3-chloro-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazole

3-chloro-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazole (PubChem CID 81221409) has the molecular formula C12H8ClN3S and a molecular weight of 261.74 g/mol. Its IUPAC name is 3-chloro-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazole
PubChem CID81221409
Molecular FormulaC12H8ClN3S
Molecular Weight261.74 g/mol
Exact Mass261.01
IUPAC Name3-chloro-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazole
SMILESCc1ccc2cc(-c3nsnc3Cl)ccc2n1
InChIInChI=1S/C12H8ClN3S/c1-7-2-3-8-6-9(4-5-10(8)14-7)11-12(13)16-17-15-11/h2-6H,1H3
InChIKeyRVOMPWVTEGKQEY-UHFFFAOYSA-N
XLogP3.72
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.74
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazole 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 3-chloro-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazole (CID 81221409) is 3-chloro-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazole is Cc1ccc2cc(-c3nsnc3Cl)ccc2n1.
What is the InChIKey of 3-chloro-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazole?
The InChIKey is RVOMPWVTEGKQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3S/c1-7-2-3-8-6-9(4-5-10(8)14-7)11-12(13)16-17-15-11/h2-6H,1H3.
What are the key properties of 3-chloro-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazole?
3-chloro-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazole has a molecular weight of 261.74 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 81221409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).