6-hydroxy-3-methyl-1,3-benzothiazol-2-one

C8H7NO2S — CID 11830047

IUPAC6-hydroxy-3-methyl-1,3-benzothiazol-2-one
SMILESCn1c(=O)sc2cc(O)ccc21
InChIInChI=1S/C8H7NO2S/c1-9-6-3-2-5(10)4-7(6)12-8(9)11/h2-4,10H,1H3
InChIKeyOFRAGDTYBWBHTR-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.31
Rot. Bonds

About 6-hydroxy-3-methyl-1,3-benzothiazol-2-one

6-hydroxy-3-methyl-1,3-benzothiazol-2-one (PubChem CID 11830047) has the molecular formula C8H7NO2S and a molecular weight of 181.22 g/mol. Its IUPAC name is 6-hydroxy-3-methyl-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name6-hydroxy-3-methyl-1,3-benzothiazol-2-one
PubChem CID11830047
Molecular FormulaC8H7NO2S
Molecular Weight181.22 g/mol
Exact Mass181.02
IUPAC Name6-hydroxy-3-methyl-1,3-benzothiazol-2-one
SMILESCn1c(=O)sc2cc(O)ccc21
InChIInChI=1S/C8H7NO2S/c1-9-6-3-2-5(10)4-7(6)12-8(9)11/h2-4,10H,1H3
InChIKeyOFRAGDTYBWBHTR-UHFFFAOYSA-N
XLogP1.31
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Hydroxy-2,3-dihydro-1,3-benzothiazole-2-carbonitrile
CID 90193139
2-Mercaptobenzo[d]thiazol-6-ol
CID 10197960
N-(4-hydroxyphenyl)-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide
CID 1081531
2,6-Dihydroxybenzothiazole
CID 11491998
Benzo[d]thiazole-2,4-diol
CID 21959856
3-[(E)-2-(4-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one
CID 59282858
3-[(E)-2-(3-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one
CID 59282919
3-[2-(3-Fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one
CID 67186415
3-[2-(4-Fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one
CID 67186792
3-[(2,2-difluorocyclopropyl)methyl]-6-hydroxy-1,3-benzothiazol-2(3H)-one
CID 67466380
(2Z)-2-hydrazinylidene-3-methyl-2,3-dihydro-1,3-benzothiazol-6-ol
CID 6887910
N-(4-hydroxy-2-methylsulfanylphenyl)acetamide
CID 70563417

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-methyl-1,3-benzothiazol-2-one?
The IUPAC name of 6-hydroxy-3-methyl-1,3-benzothiazol-2-one (CID 11830047) is 6-hydroxy-3-methyl-1,3-benzothiazol-2-one.
What is the SMILES notation for 6-hydroxy-3-methyl-1,3-benzothiazol-2-one?
The canonical SMILES for 6-hydroxy-3-methyl-1,3-benzothiazol-2-one is Cn1c(=O)sc2cc(O)ccc21.
What is the InChIKey of 6-hydroxy-3-methyl-1,3-benzothiazol-2-one?
The InChIKey is OFRAGDTYBWBHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2S/c1-9-6-3-2-5(10)4-7(6)12-8(9)11/h2-4,10H,1H3.
What are the key properties of 6-hydroxy-3-methyl-1,3-benzothiazol-2-one?
6-hydroxy-3-methyl-1,3-benzothiazol-2-one has a molecular weight of 181.22 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-methyl-1,3-benzothiazol-2-one is sourced from PubChem (CID 11830047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).