6-methoxy-2-(4-methoxyphenyl)-1,3-benzothiazole

C15H13NO2S — CID 10016034

IUPAC6-methoxy-2-(4-methoxyphenyl)-1,3-benzothiazole
SMILESCOc1ccc(-c2nc3ccc(OC)cc3s2)cc1
InChIInChI=1S/C15H13NO2S/c1-17-11-5-3-10(4-6-11)15-16-13-8-7-12(18-2)9-14(13)19-15/h3-9H,1-2H3
InChIKeyIJPKHBPIYXFMJD-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.98
Rot. Bonds3

About 6-methoxy-2-(4-methoxyphenyl)-1,3-benzothiazole

6-methoxy-2-(4-methoxyphenyl)-1,3-benzothiazole (PubChem CID 10016034) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 6-methoxy-2-(4-methoxyphenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-methoxy-2-(4-methoxyphenyl)-1,3-benzothiazole
PubChem CID10016034
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name6-methoxy-2-(4-methoxyphenyl)-1,3-benzothiazole
SMILESCOc1ccc(-c2nc3ccc(OC)cc3s2)cc1
InChIInChI=1S/C15H13NO2S/c1-17-11-5-3-10(4-6-11)15-16-13-8-7-12(18-2)9-14(13)19-15/h3-9H,1-2H3
InChIKeyIJPKHBPIYXFMJD-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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(4-methoxyphenyl)-1,3-benzothiazole?
The IUPAC name of 6-methoxy-2-(4-methoxyphenyl)-1,3-benzothiazole (CID 10016034) is 6-methoxy-2-(4-methoxyphenyl)-1,3-benzothiazole.
What is the SMILES notation for 6-methoxy-2-(4-methoxyphenyl)-1,3-benzothiazole?
The canonical SMILES for 6-methoxy-2-(4-methoxyphenyl)-1,3-benzothiazole is COc1ccc(-c2nc3ccc(OC)cc3s2)cc1.
What is the InChIKey of 6-methoxy-2-(4-methoxyphenyl)-1,3-benzothiazole?
The InChIKey is IJPKHBPIYXFMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-17-11-5-3-10(4-6-11)15-16-13-8-7-12(18-2)9-14(13)19-15/h3-9H,1-2H3.
What are the key properties of 6-methoxy-2-(4-methoxyphenyl)-1,3-benzothiazole?
6-methoxy-2-(4-methoxyphenyl)-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-methoxy-2-(4-methoxyphenyl)-1,3-benzothiazole is sourced from PubChem (CID 10016034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).