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

C9H9NO2S — CID 71513744

IUPAC6-methoxy-2-methyl-1,2-benzothiazol-3-one
SMILESCOc1ccc2c(=O)n(C)sc2c1
InChIInChI=1S/C9H9NO2S/c1-10-9(11)7-4-3-6(12-2)5-8(7)13-10/h3-5H,1-2H3
InChIKeyBIMCUMDIXRMMLN-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.61
Rot. Bonds1

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

6-methoxy-2-methyl-1,2-benzothiazol-3-one (PubChem CID 71513744) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 6-methoxy-2-methyl-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name6-methoxy-2-methyl-1,2-benzothiazol-3-one
PubChem CID71513744
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name6-methoxy-2-methyl-1,2-benzothiazol-3-one
SMILESCOc1ccc2c(=O)n(C)sc2c1
InChIInChI=1S/C9H9NO2S/c1-10-9(11)7-4-3-6(12-2)5-8(7)13-10/h3-5H,1-2H3
InChIKeyBIMCUMDIXRMMLN-UHFFFAOYSA-N
XLogP1.61
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-6-methoxy-1,2-benzothiazol-3-one
CID 56673607
6-methoxy-2-(2-oxopropyl)-1,2-benzothiazol-3-one
CID 57159519
2-tert-butyl-5-methoxy-1,2-benzothiazol-3-one
CID 15169795
3,4,7-trimethoxy-1-methylquinolin-2-one
CID 20676861
3,8-dimethoxy-5-methylphenanthridin-6-one
CID 164597930
7-methoxy-2,4-dimethylisoquinolin-1-one
CID 115022865
2-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-benzothiazol-3-one
CID 2328639
4-ethyl-6-methoxy-2-methylisoquinolin-1-one
CID 115063438
4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one
CID 54737447
2-amino-7-methoxy-3-methylquinazolin-4-one
CID 84778294
7-methoxy-2-(4-methylphenyl)thiochromen-4-one
CID 154713863
7-methoxy-1-methylcinnolin-4-one
CID 89165041

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-1,2-benzothiazol-3-one?
The IUPAC name of 6-methoxy-2-methyl-1,2-benzothiazol-3-one (CID 71513744) is 6-methoxy-2-methyl-1,2-benzothiazol-3-one.
What is the SMILES notation for 6-methoxy-2-methyl-1,2-benzothiazol-3-one?
The canonical SMILES for 6-methoxy-2-methyl-1,2-benzothiazol-3-one is COc1ccc2c(=O)n(C)sc2c1.
What is the InChIKey of 6-methoxy-2-methyl-1,2-benzothiazol-3-one?
The InChIKey is BIMCUMDIXRMMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c1-10-9(11)7-4-3-6(12-2)5-8(7)13-10/h3-5H,1-2H3.
What are the key properties of 6-methoxy-2-methyl-1,2-benzothiazol-3-one?
6-methoxy-2-methyl-1,2-benzothiazol-3-one has a molecular weight of 195.24 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-1,2-benzothiazol-3-one is sourced from PubChem (CID 71513744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).