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

C8H7NOS — CID 699799

IUPAC2-methyl-1,3-benzothiazol-5-ol
SMILESCc1nc2cc(O)ccc2s1
InChIInChI=1S/C8H7NOS/c1-5-9-7-4-6(10)2-3-8(7)11-5/h2-4,10H,1H3
InChIKeyLAKVUPMDDFICNR-UHFFFAOYSA-N
MW165.22 g/mol
LogP2.31
Rot. Bonds

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

2-methyl-1,3-benzothiazol-5-ol (PubChem CID 699799) has the molecular formula C8H7NOS and a molecular weight of 165.22 g/mol. Its IUPAC name is 2-methyl-1,3-benzothiazol-5-ol.

Molecular Properties

Compound Name2-methyl-1,3-benzothiazol-5-ol
PubChem CID699799
Molecular FormulaC8H7NOS
Molecular Weight165.22 g/mol
Exact Mass165.02
IUPAC Name2-methyl-1,3-benzothiazol-5-ol
SMILESCc1nc2cc(O)ccc2s1
InChIInChI=1S/C8H7NOS/c1-5-9-7-4-6(10)2-3-8(7)11-5/h2-4,10H,1H3
InChIKeyLAKVUPMDDFICNR-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

Analyze 2-methyl-1,3-benzothiazol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-benzothiazol-5-ol?
The IUPAC name of 2-methyl-1,3-benzothiazol-5-ol (CID 699799) is 2-methyl-1,3-benzothiazol-5-ol.
What is the SMILES notation for 2-methyl-1,3-benzothiazol-5-ol?
The canonical SMILES for 2-methyl-1,3-benzothiazol-5-ol is Cc1nc2cc(O)ccc2s1.
What is the InChIKey of 2-methyl-1,3-benzothiazol-5-ol?
The InChIKey is LAKVUPMDDFICNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS/c1-5-9-7-4-6(10)2-3-8(7)11-5/h2-4,10H,1H3.
What are the key properties of 2-methyl-1,3-benzothiazol-5-ol?
2-methyl-1,3-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 2-methyl-1,3-benzothiazol-5-ol is sourced from PubChem (CID 699799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).