6-chloro-4-(difluoromethoxy)-1,3-benzothiazole

C8H4ClF2NOS — CID 130778137

IUPAC6-chloro-4-(difluoromethoxy)-1,3-benzothiazole
SMILESFC(F)Oc1cc(Cl)cc2scnc12
InChIInChI=1S/C8H4ClF2NOS/c9-4-1-5(13-8(10)11)7-6(2-4)14-3-12-7/h1-3,8H
InChIKeyCPUXMYQEYVLXPA-UHFFFAOYSA-N
MW235.64 g/mol
LogP3.55
Rot. Bonds2

About 6-chloro-4-(difluoromethoxy)-1,3-benzothiazole

6-chloro-4-(difluoromethoxy)-1,3-benzothiazole (PubChem CID 130778137) has the molecular formula C8H4ClF2NOS and a molecular weight of 235.64 g/mol. Its IUPAC name is 6-chloro-4-(difluoromethoxy)-1,3-benzothiazole.

Molecular Properties

Compound Name6-chloro-4-(difluoromethoxy)-1,3-benzothiazole
PubChem CID130778137
Molecular FormulaC8H4ClF2NOS
Molecular Weight235.64 g/mol
Exact Mass234.97
IUPAC Name6-chloro-4-(difluoromethoxy)-1,3-benzothiazole
SMILESFC(F)Oc1cc(Cl)cc2scnc12
InChIInChI=1S/C8H4ClF2NOS/c9-4-1-5(13-8(10)11)7-6(2-4)14-3-12-7/h1-3,8H
InChIKeyCPUXMYQEYVLXPA-UHFFFAOYSA-N
XLogP3.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.64
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-chloro-4-(difluoromethoxy)-1,3-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 6-chloro-4-(difluoromethoxy)-1,3-benzothiazole?
The IUPAC name of 6-chloro-4-(difluoromethoxy)-1,3-benzothiazole (CID 130778137) is 6-chloro-4-(difluoromethoxy)-1,3-benzothiazole.
What is the SMILES notation for 6-chloro-4-(difluoromethoxy)-1,3-benzothiazole?
The canonical SMILES for 6-chloro-4-(difluoromethoxy)-1,3-benzothiazole is FC(F)Oc1cc(Cl)cc2scnc12.
What is the InChIKey of 6-chloro-4-(difluoromethoxy)-1,3-benzothiazole?
The InChIKey is CPUXMYQEYVLXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF2NOS/c9-4-1-5(13-8(10)11)7-6(2-4)14-3-12-7/h1-3,8H.
What are the key properties of 6-chloro-4-(difluoromethoxy)-1,3-benzothiazole?
6-chloro-4-(difluoromethoxy)-1,3-benzothiazole has a molecular weight of 235.64 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(difluoromethoxy)-1,3-benzothiazole is sourced from PubChem (CID 130778137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).