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

C7H2ClF2NS — CID 2049883

IUPAC2-chloro-4,6-difluoro-1,3-benzothiazole
SMILESFc1cc(F)c2nc(Cl)sc2c1
InChIInChI=1S/C7H2ClF2NS/c8-7-11-6-4(10)1-3(9)2-5(6)12-7/h1-2H
InChIKeyLZXONCQHRWRSKB-UHFFFAOYSA-N
MW205.62 g/mol
LogP3.23
Rot. Bonds

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

2-chloro-4,6-difluoro-1,3-benzothiazole (PubChem CID 2049883) has the molecular formula C7H2ClF2NS and a molecular weight of 205.62 g/mol. Its IUPAC name is 2-chloro-4,6-difluoro-1,3-benzothiazole.

Molecular Properties

Compound Name2-chloro-4,6-difluoro-1,3-benzothiazole
PubChem CID2049883
Molecular FormulaC7H2ClF2NS
Molecular Weight205.62 g/mol
Exact Mass204.96
IUPAC Name2-chloro-4,6-difluoro-1,3-benzothiazole
SMILESFc1cc(F)c2nc(Cl)sc2c1
InChIInChI=1S/C7H2ClF2NS/c8-7-11-6-4(10)1-3(9)2-5(6)12-7/h1-2H
InChIKeyLZXONCQHRWRSKB-UHFFFAOYSA-N
XLogP3.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.62
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Thiocyanomethylthio)benzothiazole
CID 30692
Benzothiazole
CID 7222
Sodium 2-mercaptobenzothiazole
CID 3714831
2-(Methylthio)benzothiazole
CID 11989
2-Methylbenzothiazole
CID 8446
2-Chlorobenzothiazole
CID 11987
2-Amino-6-fluorobenzothiazole
CID 319954
Potassium 2-mercaptobenzothiazole
CID 23679264
2-Amino-4,5,6-trifluorobenzothiazole
CID 2318828
2-Bromo-1,3-benzothiazole
CID 612040
2-Ethynyl-1,3-benzothiazole
CID 640710
4-Fluoro-1,3-benzothiazol-2-amine
CID 2049887

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-difluoro-1,3-benzothiazole?
The IUPAC name of 2-chloro-4,6-difluoro-1,3-benzothiazole (CID 2049883) is 2-chloro-4,6-difluoro-1,3-benzothiazole.
What is the SMILES notation for 2-chloro-4,6-difluoro-1,3-benzothiazole?
The canonical SMILES for 2-chloro-4,6-difluoro-1,3-benzothiazole is Fc1cc(F)c2nc(Cl)sc2c1.
What is the InChIKey of 2-chloro-4,6-difluoro-1,3-benzothiazole?
The InChIKey is LZXONCQHRWRSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF2NS/c8-7-11-6-4(10)1-3(9)2-5(6)12-7/h1-2H.
What are the key properties of 2-chloro-4,6-difluoro-1,3-benzothiazole?
2-chloro-4,6-difluoro-1,3-benzothiazole has a molecular weight of 205.62 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-difluoro-1,3-benzothiazole is sourced from PubChem (CID 2049883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).