2-chloro-4,6-difluoro-7-methoxy-1,3-benzothiazole

C8H4ClF2NOS — CID 134180984

IUPAC2-chloro-4,6-difluoro-7-methoxy-1,3-benzothiazole
SMILESCOc1c(F)cc(F)c2nc(Cl)sc12
InChIInChI=1S/C8H4ClF2NOS/c1-13-6-4(11)2-3(10)5-7(6)14-8(9)12-5/h2H,1H3
InChIKeyZWPPIQBMBBOUAF-UHFFFAOYSA-N
MW235.64 g/mol
LogP3.24
Rot. Bonds1

About 2-chloro-4,6-difluoro-7-methoxy-1,3-benzothiazole

2-chloro-4,6-difluoro-7-methoxy-1,3-benzothiazole (PubChem CID 134180984) has the molecular formula C8H4ClF2NOS and a molecular weight of 235.64 g/mol. Its IUPAC name is 2-chloro-4,6-difluoro-7-methoxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-chloro-4,6-difluoro-7-methoxy-1,3-benzothiazole
PubChem CID134180984
Molecular FormulaC8H4ClF2NOS
Molecular Weight235.64 g/mol
Exact Mass234.97
IUPAC Name2-chloro-4,6-difluoro-7-methoxy-1,3-benzothiazole
SMILESCOc1c(F)cc(F)c2nc(Cl)sc12
InChIInChI=1S/C8H4ClF2NOS/c1-13-6-4(11)2-3(10)5-7(6)14-8(9)12-5/h2H,1H3
InChIKeyZWPPIQBMBBOUAF-UHFFFAOYSA-N
XLogP3.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.64
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-difluoro-7-methoxy-1,3-benzothiazole?
The IUPAC name of 2-chloro-4,6-difluoro-7-methoxy-1,3-benzothiazole (CID 134180984) is 2-chloro-4,6-difluoro-7-methoxy-1,3-benzothiazole.
What is the SMILES notation for 2-chloro-4,6-difluoro-7-methoxy-1,3-benzothiazole?
The canonical SMILES for 2-chloro-4,6-difluoro-7-methoxy-1,3-benzothiazole is COc1c(F)cc(F)c2nc(Cl)sc12.
What is the InChIKey of 2-chloro-4,6-difluoro-7-methoxy-1,3-benzothiazole?
The InChIKey is ZWPPIQBMBBOUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF2NOS/c1-13-6-4(11)2-3(10)5-7(6)14-8(9)12-5/h2H,1H3.
What are the key properties of 2-chloro-4,6-difluoro-7-methoxy-1,3-benzothiazole?
2-chloro-4,6-difluoro-7-methoxy-1,3-benzothiazole has a molecular weight of 235.64 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-difluoro-7-methoxy-1,3-benzothiazole is sourced from PubChem (CID 134180984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).