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

C8H7NOS — CID 12607084

IUPAC3-methyl-1,2-benzothiazol-5-ol
SMILESCc1nsc2ccc(O)cc12
InChIInChI=1S/C8H7NOS/c1-5-7-4-6(10)2-3-8(7)11-9-5/h2-4,10H,1H3
InChIKeyQZKPMWHDGBMXNE-UHFFFAOYSA-N
MW165.22 g/mol
LogP2.31
Rot. Bonds

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

3-methyl-1,2-benzothiazol-5-ol (PubChem CID 12607084) has the molecular formula C8H7NOS and a molecular weight of 165.22 g/mol. Its IUPAC name is 3-methyl-1,2-benzothiazol-5-ol.

Molecular Properties

Compound Name3-methyl-1,2-benzothiazol-5-ol
PubChem CID12607084
Molecular FormulaC8H7NOS
Molecular Weight165.22 g/mol
Exact Mass165.02
IUPAC Name3-methyl-1,2-benzothiazol-5-ol
SMILESCc1nsc2ccc(O)cc12
InChIInChI=1S/C8H7NOS/c1-5-7-4-6(10)2-3-8(7)11-9-5/h2-4,10H,1H3
InChIKeyQZKPMWHDGBMXNE-UHFFFAOYSA-N
XLogP2.31
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2-benzothiazol-5-ol?
The IUPAC name of 3-methyl-1,2-benzothiazol-5-ol (CID 12607084) is 3-methyl-1,2-benzothiazol-5-ol.
What is the SMILES notation for 3-methyl-1,2-benzothiazol-5-ol?
The canonical SMILES for 3-methyl-1,2-benzothiazol-5-ol is Cc1nsc2ccc(O)cc12.
What is the InChIKey of 3-methyl-1,2-benzothiazol-5-ol?
The InChIKey is QZKPMWHDGBMXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS/c1-5-7-4-6(10)2-3-8(7)11-9-5/h2-4,10H,1H3.
What are the key properties of 3-methyl-1,2-benzothiazol-5-ol?
3-methyl-1,2-benzothiazol-5-ol has a molecular weight of 165.22 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2-benzothiazol-5-ol is sourced from PubChem (CID 12607084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).