2-bromo-4-chloro-5-methyl-1,3-benzothiazole

C8H5BrClNS — CID 130063352

IUPAC2-bromo-4-chloro-5-methyl-1,3-benzothiazole
SMILESCc1ccc2sc(Br)nc2c1Cl
InChIInChI=1S/C8H5BrClNS/c1-4-2-3-5-7(6(4)10)11-8(9)12-5/h2-3H,1H3
InChIKeyUWPCGIKZOZGCQF-UHFFFAOYSA-N
MW262.56 g/mol
LogP4.02
Rot. Bonds

About 2-bromo-4-chloro-5-methyl-1,3-benzothiazole

2-bromo-4-chloro-5-methyl-1,3-benzothiazole (PubChem CID 130063352) has the molecular formula C8H5BrClNS and a molecular weight of 262.56 g/mol. Its IUPAC name is 2-bromo-4-chloro-5-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-bromo-4-chloro-5-methyl-1,3-benzothiazole
PubChem CID130063352
Molecular FormulaC8H5BrClNS
Molecular Weight262.56 g/mol
Exact Mass260.90
IUPAC Name2-bromo-4-chloro-5-methyl-1,3-benzothiazole
SMILESCc1ccc2sc(Br)nc2c1Cl
InChIInChI=1S/C8H5BrClNS/c1-4-2-3-5-7(6(4)10)11-8(9)12-5/h2-3H,1H3
InChIKeyUWPCGIKZOZGCQF-UHFFFAOYSA-N
XLogP4.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.56
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-5-methyl-1,3-benzothiazole?
The IUPAC name of 2-bromo-4-chloro-5-methyl-1,3-benzothiazole (CID 130063352) is 2-bromo-4-chloro-5-methyl-1,3-benzothiazole.
What is the SMILES notation for 2-bromo-4-chloro-5-methyl-1,3-benzothiazole?
The canonical SMILES for 2-bromo-4-chloro-5-methyl-1,3-benzothiazole is Cc1ccc2sc(Br)nc2c1Cl.
What is the InChIKey of 2-bromo-4-chloro-5-methyl-1,3-benzothiazole?
The InChIKey is UWPCGIKZOZGCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClNS/c1-4-2-3-5-7(6(4)10)11-8(9)12-5/h2-3H,1H3.
What are the key properties of 2-bromo-4-chloro-5-methyl-1,3-benzothiazole?
2-bromo-4-chloro-5-methyl-1,3-benzothiazole has a molecular weight of 262.56 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-5-methyl-1,3-benzothiazole is sourced from PubChem (CID 130063352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).