5,6-dimethoxy-3-(4-methylphenyl)-1,2-benzothiazole

C16H15NO2S — CID 13270208

IUPAC5,6-dimethoxy-3-(4-methylphenyl)-1,2-benzothiazole
SMILESCOc1cc2snc(-c3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C16H15NO2S/c1-10-4-6-11(7-5-10)16-12-8-13(18-2)14(19-3)9-15(12)20-17-16/h4-9H,1-3H3
InChIKeyCVGPJIJQMMUSLU-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.29
Rot. Bonds3

About 5,6-dimethoxy-3-(4-methylphenyl)-1,2-benzothiazole

5,6-dimethoxy-3-(4-methylphenyl)-1,2-benzothiazole (PubChem CID 13270208) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 5,6-dimethoxy-3-(4-methylphenyl)-1,2-benzothiazole.

Molecular Properties

Compound Name5,6-dimethoxy-3-(4-methylphenyl)-1,2-benzothiazole
PubChem CID13270208
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name5,6-dimethoxy-3-(4-methylphenyl)-1,2-benzothiazole
SMILESCOc1cc2snc(-c3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C16H15NO2S/c1-10-4-6-11(7-5-10)16-12-8-13(18-2)14(19-3)9-15(12)20-17-16/h4-9H,1-3H3
InChIKeyCVGPJIJQMMUSLU-UHFFFAOYSA-N
XLogP4.29
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-3-(4-methylphenyl)-1,2-benzothiazole?
The IUPAC name of 5,6-dimethoxy-3-(4-methylphenyl)-1,2-benzothiazole (CID 13270208) is 5,6-dimethoxy-3-(4-methylphenyl)-1,2-benzothiazole.
What is the SMILES notation for 5,6-dimethoxy-3-(4-methylphenyl)-1,2-benzothiazole?
The canonical SMILES for 5,6-dimethoxy-3-(4-methylphenyl)-1,2-benzothiazole is COc1cc2snc(-c3ccc(C)cc3)c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-3-(4-methylphenyl)-1,2-benzothiazole?
The InChIKey is CVGPJIJQMMUSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-10-4-6-11(7-5-10)16-12-8-13(18-2)14(19-3)9-15(12)20-17-16/h4-9H,1-3H3.
What are the key properties of 5,6-dimethoxy-3-(4-methylphenyl)-1,2-benzothiazole?
5,6-dimethoxy-3-(4-methylphenyl)-1,2-benzothiazole has a molecular weight of 285.37 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-3-(4-methylphenyl)-1,2-benzothiazole is sourced from PubChem (CID 13270208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).