6-methoxy-2-(3-methylphenyl)-1,3-benzothiazole

C15H13NOS — CID 25232186

IUPAC6-methoxy-2-(3-methylphenyl)-1,3-benzothiazole
SMILESCOc1ccc2nc(-c3cccc(C)c3)sc2c1
InChIInChI=1S/C15H13NOS/c1-10-4-3-5-11(8-10)15-16-13-7-6-12(17-2)9-14(13)18-15/h3-9H,1-2H3
InChIKeyFWSNNNJEXXLSCD-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.28
Rot. Bonds2

About 6-methoxy-2-(3-methylphenyl)-1,3-benzothiazole

6-methoxy-2-(3-methylphenyl)-1,3-benzothiazole (PubChem CID 25232186) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 6-methoxy-2-(3-methylphenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-methoxy-2-(3-methylphenyl)-1,3-benzothiazole
PubChem CID25232186
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name6-methoxy-2-(3-methylphenyl)-1,3-benzothiazole
SMILESCOc1ccc2nc(-c3cccc(C)c3)sc2c1
InChIInChI=1S/C15H13NOS/c1-10-4-3-5-11(8-10)15-16-13-7-6-12(17-2)9-14(13)18-15/h3-9H,1-2H3
InChIKeyFWSNNNJEXXLSCD-UHFFFAOYSA-N
XLogP4.28
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole
CID 12939261
2-[3-(chloromethyl)phenyl]-6-methoxy-1,3-benzothiazole
CID 79518402
6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 11255311
2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole
CID 101474681
6-methoxy-2-[4-[10-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole
CID 22960185
5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine
CID 24804069
3-fluoro-2-(6-methoxy-1,3-benzothiazol-2-yl)phenol
CID 136789802
2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole
CID 146253203
2,6-dichloro-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 82830716
5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine
CID 24804067
2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
CID 58983612
2-iodo-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline;4-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 160555222

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(3-methylphenyl)-1,3-benzothiazole?
The IUPAC name of 6-methoxy-2-(3-methylphenyl)-1,3-benzothiazole (CID 25232186) is 6-methoxy-2-(3-methylphenyl)-1,3-benzothiazole.
What is the SMILES notation for 6-methoxy-2-(3-methylphenyl)-1,3-benzothiazole?
The canonical SMILES for 6-methoxy-2-(3-methylphenyl)-1,3-benzothiazole is COc1ccc2nc(-c3cccc(C)c3)sc2c1.
What is the InChIKey of 6-methoxy-2-(3-methylphenyl)-1,3-benzothiazole?
The InChIKey is FWSNNNJEXXLSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c1-10-4-3-5-11(8-10)15-16-13-7-6-12(17-2)9-14(13)18-15/h3-9H,1-2H3.
What are the key properties of 6-methoxy-2-(3-methylphenyl)-1,3-benzothiazole?
6-methoxy-2-(3-methylphenyl)-1,3-benzothiazole has a molecular weight of 255.34 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(3-methylphenyl)-1,3-benzothiazole is sourced from PubChem (CID 25232186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).