6-bromo-2-chloro-4-fluoro-1,3-benzothiazole

C7H2BrClFNS — CID 58470056

IUPAC6-bromo-2-chloro-4-fluoro-1,3-benzothiazole
SMILESFc1cc(Br)cc2sc(Cl)nc12
InChIInChI=1S/C7H2BrClFNS/c8-3-1-4(10)6-5(2-3)12-7(9)11-6/h1-2H
InChIKeyBTYMVNZOAAXVQP-UHFFFAOYSA-N
MW266.52 g/mol
LogP3.85
Rot. Bonds

About 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole

6-bromo-2-chloro-4-fluoro-1,3-benzothiazole (PubChem CID 58470056) has the molecular formula C7H2BrClFNS and a molecular weight of 266.52 g/mol. Its IUPAC name is 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole.

Molecular Properties

Compound Name6-bromo-2-chloro-4-fluoro-1,3-benzothiazole
PubChem CID58470056
Molecular FormulaC7H2BrClFNS
Molecular Weight266.52 g/mol
Exact Mass264.88
IUPAC Name6-bromo-2-chloro-4-fluoro-1,3-benzothiazole
SMILESFc1cc(Br)cc2sc(Cl)nc12
InChIInChI=1S/C7H2BrClFNS/c8-3-1-4(10)6-5(2-3)12-7(9)11-6/h1-2H
InChIKeyBTYMVNZOAAXVQP-UHFFFAOYSA-N
XLogP3.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.52
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4,6-difluoro-1,3-benzothiazole
CID 2049883
methyl 6-bromo-2-chloro-1,3-benzothiazole-4-carboxylate
CID 53413026
7-bromo-2,3-dichloro-5-fluoroquinoxaline
CID 58475289
2-[5-[(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 70915189
6-bromo-2-chloro-[1,3]thiazolo[4,5-b]pyridine;hydrochloride
CID 67462755
2-bromo-4-fluoro-6-isocyano-1,3-benzothiazole
CID 140726547
6-bromo-2-(2-ethyl-6-methylcyclohexyl)-4-fluoro-1,3-benzothiazole
CID 145100600
(2R)-2-bromo-N-(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)butanamide
CID 28662257
6-bromo-2-methyl-1,3-benzothiazole;4,6-difluoro-2-methyl-1,3-benzothiazole
CID 157222863
6-bromo-4-chloro-2-(difluoromethyl)-8-fluoroquinazoline
CID 114590969
2-chloro-4,6-difluoro-7-methoxy-1,3-benzothiazole
CID 134180984
8-bromo-4-chloro-6-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline
CID 58476034

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole?
The IUPAC name of 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole (CID 58470056) is 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole.
What is the SMILES notation for 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole?
The canonical SMILES for 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole is Fc1cc(Br)cc2sc(Cl)nc12.
What is the InChIKey of 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole?
The InChIKey is BTYMVNZOAAXVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrClFNS/c8-3-1-4(10)6-5(2-3)12-7(9)11-6/h1-2H.
What are the key properties of 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole?
6-bromo-2-chloro-4-fluoro-1,3-benzothiazole has a molecular weight of 266.52 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole is sourced from PubChem (CID 58470056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).