3-chloro-6-fluoro-1,2-benzothiazole

C7H3ClFNS — CID 57020325

IUPAC3-chloro-6-fluoro-1,2-benzothiazole
SMILESFc1ccc2c(Cl)nsc2c1
InChIInChI=1S/C7H3ClFNS/c8-7-5-2-1-4(9)3-6(5)11-10-7/h1-3H
InChIKeyQSQRDXWYGHPKOP-UHFFFAOYSA-N
MW187.63 g/mol
LogP3.09
Rot. Bonds

About 3-chloro-6-fluoro-1,2-benzothiazole

3-chloro-6-fluoro-1,2-benzothiazole (PubChem CID 57020325) has the molecular formula C7H3ClFNS and a molecular weight of 187.63 g/mol. Its IUPAC name is 3-chloro-6-fluoro-1,2-benzothiazole.

Molecular Properties

Compound Name3-chloro-6-fluoro-1,2-benzothiazole
PubChem CID57020325
Molecular FormulaC7H3ClFNS
Molecular Weight187.63 g/mol
Exact Mass186.97
IUPAC Name3-chloro-6-fluoro-1,2-benzothiazole
SMILESFc1ccc2c(Cl)nsc2c1
InChIInChI=1S/C7H3ClFNS/c8-7-5-2-1-4(9)3-6(5)11-10-7/h1-3H
InChIKeyQSQRDXWYGHPKOP-UHFFFAOYSA-N
XLogP3.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-chloro-6-fluoro-1,2-benzothiazole 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-6-fluoro-1,2-benzothiazole?
The IUPAC name of 3-chloro-6-fluoro-1,2-benzothiazole (CID 57020325) is 3-chloro-6-fluoro-1,2-benzothiazole.
What is the SMILES notation for 3-chloro-6-fluoro-1,2-benzothiazole?
The canonical SMILES for 3-chloro-6-fluoro-1,2-benzothiazole is Fc1ccc2c(Cl)nsc2c1.
What is the InChIKey of 3-chloro-6-fluoro-1,2-benzothiazole?
The InChIKey is QSQRDXWYGHPKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFNS/c8-7-5-2-1-4(9)3-6(5)11-10-7/h1-3H.
What are the key properties of 3-chloro-6-fluoro-1,2-benzothiazole?
3-chloro-6-fluoro-1,2-benzothiazole has a molecular weight of 187.63 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-fluoro-1,2-benzothiazole is sourced from PubChem (CID 57020325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).