6-bromo-4-methyl-1,3-benzothiazole

C8H6BrNS — CID 130838303

IUPAC6-bromo-4-methyl-1,3-benzothiazole
SMILESCc1cc(Br)cc2scnc12
InChIInChI=1S/C8H6BrNS/c1-5-2-6(9)3-7-8(5)10-4-11-7/h2-4H,1H3
InChIKeyMOVZWCBOOWQDSZ-UHFFFAOYSA-N
MW228.11 g/mol
LogP3.37
Rot. Bonds

About 6-bromo-4-methyl-1,3-benzothiazole

6-bromo-4-methyl-1,3-benzothiazole (PubChem CID 130838303) has the molecular formula C8H6BrNS and a molecular weight of 228.11 g/mol. Its IUPAC name is 6-bromo-4-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name6-bromo-4-methyl-1,3-benzothiazole
PubChem CID130838303
Molecular FormulaC8H6BrNS
Molecular Weight228.11 g/mol
Exact Mass226.94
IUPAC Name6-bromo-4-methyl-1,3-benzothiazole
SMILESCc1cc(Br)cc2scnc12
InChIInChI=1S/C8H6BrNS/c1-5-2-6(9)3-7-8(5)10-4-11-7/h2-4H,1H3
InChIKeyMOVZWCBOOWQDSZ-UHFFFAOYSA-N
XLogP3.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.11
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methyl-1,3-benzothiazole?
The IUPAC name of 6-bromo-4-methyl-1,3-benzothiazole (CID 130838303) is 6-bromo-4-methyl-1,3-benzothiazole.
What is the SMILES notation for 6-bromo-4-methyl-1,3-benzothiazole?
The canonical SMILES for 6-bromo-4-methyl-1,3-benzothiazole is Cc1cc(Br)cc2scnc12.
What is the InChIKey of 6-bromo-4-methyl-1,3-benzothiazole?
The InChIKey is MOVZWCBOOWQDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNS/c1-5-2-6(9)3-7-8(5)10-4-11-7/h2-4H,1H3.
What are the key properties of 6-bromo-4-methyl-1,3-benzothiazole?
6-bromo-4-methyl-1,3-benzothiazole has a molecular weight of 228.11 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methyl-1,3-benzothiazole is sourced from PubChem (CID 130838303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).