5-bromo-2-methyl-1,3-benzothiazol-7-ol

C8H6BrNOS — CID 118386441

IUPAC5-bromo-2-methyl-1,3-benzothiazol-7-ol
SMILESCc1nc2cc(Br)cc(O)c2s1
InChIInChI=1S/C8H6BrNOS/c1-4-10-6-2-5(9)3-7(11)8(6)12-4/h2-3,11H,1H3
InChIKeyPRKACADGIQCACY-UHFFFAOYSA-N
MW244.11 g/mol
LogP3.07
Rot. Bonds

About 5-bromo-2-methyl-1,3-benzothiazol-7-ol

5-bromo-2-methyl-1,3-benzothiazol-7-ol (PubChem CID 118386441) has the molecular formula C8H6BrNOS and a molecular weight of 244.11 g/mol. Its IUPAC name is 5-bromo-2-methyl-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name5-bromo-2-methyl-1,3-benzothiazol-7-ol
PubChem CID118386441
Molecular FormulaC8H6BrNOS
Molecular Weight244.11 g/mol
Exact Mass242.94
IUPAC Name5-bromo-2-methyl-1,3-benzothiazol-7-ol
SMILESCc1nc2cc(Br)cc(O)c2s1
InChIInChI=1S/C8H6BrNOS/c1-4-10-6-2-5(9)3-7(11)8(6)12-4/h2-3,11H,1H3
InChIKeyPRKACADGIQCACY-UHFFFAOYSA-N
XLogP3.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-1,3-benzothiazol-7-ol?
The IUPAC name of 5-bromo-2-methyl-1,3-benzothiazol-7-ol (CID 118386441) is 5-bromo-2-methyl-1,3-benzothiazol-7-ol.
What is the SMILES notation for 5-bromo-2-methyl-1,3-benzothiazol-7-ol?
The canonical SMILES for 5-bromo-2-methyl-1,3-benzothiazol-7-ol is Cc1nc2cc(Br)cc(O)c2s1.
What is the InChIKey of 5-bromo-2-methyl-1,3-benzothiazol-7-ol?
The InChIKey is PRKACADGIQCACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNOS/c1-4-10-6-2-5(9)3-7(11)8(6)12-4/h2-3,11H,1H3.
What are the key properties of 5-bromo-2-methyl-1,3-benzothiazol-7-ol?
5-bromo-2-methyl-1,3-benzothiazol-7-ol has a molecular weight of 244.11 g/mol, XLogP of 3.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-1,3-benzothiazol-7-ol is sourced from PubChem (CID 118386441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).