6,7-dimethoxy-2-phenyl-1,3-benzothiazole

C15H13NO2S — CID 101432733

IUPAC6,7-dimethoxy-2-phenyl-1,3-benzothiazole
SMILESCOc1ccc2nc(-c3ccccc3)sc2c1OC
InChIInChI=1S/C15H13NO2S/c1-17-12-9-8-11-14(13(12)18-2)19-15(16-11)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyKWZBCSOJOWGIMF-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.98
Rot. Bonds3

About 6,7-dimethoxy-2-phenyl-1,3-benzothiazole

6,7-dimethoxy-2-phenyl-1,3-benzothiazole (PubChem CID 101432733) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 6,7-dimethoxy-2-phenyl-1,3-benzothiazole.

Molecular Properties

Compound Name6,7-dimethoxy-2-phenyl-1,3-benzothiazole
PubChem CID101432733
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name6,7-dimethoxy-2-phenyl-1,3-benzothiazole
SMILESCOc1ccc2nc(-c3ccccc3)sc2c1OC
InChIInChI=1S/C15H13NO2S/c1-17-12-9-8-11-14(13(12)18-2)19-15(16-11)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyKWZBCSOJOWGIMF-UHFFFAOYSA-N
XLogP3.98
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,7-dimethoxy-2-phenyl-1,3-benzothiazole with MolForge

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

Launch Full Analysis

Related Compounds

(2S,3S)-N-[(6-methoxy-2-phenyl-1,3-benzothiazol-7-yl)methyl]-2-phenylpyrrolidin-3-amine
CID 11596826
2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 160986314
2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 627307
2-phenyl-6H-pyrazolo[5,4-g][1,3]benzothiazole
CID 162412475
5-bromo-2-phenylnaphtho[1,2-g][1,3]benzothiazole
CID 174295877
6-methoxy-2-phenyl-1,3-benzothiazole-5-carboxylic acid
CID 67851580
4,7,8-trimethoxy-2-phenylquinoline
CID 20743676
5,6-ditert-butyl-7-(4-methoxyphenyl)-2-phenyl-1,3-benzothiazole
CID 161368656
2-phenyl-5-pyridin-4-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole
CID 141261492
2-(2,3-dimethoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole
CID 39902669
5-methoxy-4-methyl-2-phenyl-1,3-thiazole
CID 116887501
4-methoxy-2,5-diphenyl-1,3-thiazole
CID 15691804

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-phenyl-1,3-benzothiazole?
The IUPAC name of 6,7-dimethoxy-2-phenyl-1,3-benzothiazole (CID 101432733) is 6,7-dimethoxy-2-phenyl-1,3-benzothiazole.
What is the SMILES notation for 6,7-dimethoxy-2-phenyl-1,3-benzothiazole?
The canonical SMILES for 6,7-dimethoxy-2-phenyl-1,3-benzothiazole is COc1ccc2nc(-c3ccccc3)sc2c1OC.
What is the InChIKey of 6,7-dimethoxy-2-phenyl-1,3-benzothiazole?
The InChIKey is KWZBCSOJOWGIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-17-12-9-8-11-14(13(12)18-2)19-15(16-11)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of 6,7-dimethoxy-2-phenyl-1,3-benzothiazole?
6,7-dimethoxy-2-phenyl-1,3-benzothiazole has a molecular weight of 271.34 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-phenyl-1,3-benzothiazole is sourced from PubChem (CID 101432733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).