6-fluoro-3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole

C16H14FNOS — CID 18683312

IUPAC6-fluoro-3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole
SMILESCOc1ccc(C)cc1-c1nsc2cc(F)c(C)cc12
InChIInChI=1S/C16H14FNOS/c1-9-4-5-14(19-3)11(6-9)16-12-7-10(2)13(17)8-15(12)20-18-16/h4-8H,1-3H3
InChIKeyCXWMZUDZYKDYME-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.73
Rot. Bonds2

About 6-fluoro-3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole

6-fluoro-3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole (PubChem CID 18683312) has the molecular formula C16H14FNOS and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-fluoro-3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole.

Molecular Properties

Compound Name6-fluoro-3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole
PubChem CID18683312
Molecular FormulaC16H14FNOS
Molecular Weight287.36 g/mol
Exact Mass287.08
IUPAC Name6-fluoro-3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole
SMILESCOc1ccc(C)cc1-c1nsc2cc(F)c(C)cc12
InChIInChI=1S/C16H14FNOS/c1-9-4-5-14(19-3)11(6-9)16-12-7-10(2)13(17)8-15(12)20-18-16/h4-8H,1-3H3
InChIKeyCXWMZUDZYKDYME-UHFFFAOYSA-N
XLogP4.73
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole?
The IUPAC name of 6-fluoro-3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole (CID 18683312) is 6-fluoro-3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole.
What is the SMILES notation for 6-fluoro-3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole?
The canonical SMILES for 6-fluoro-3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole is COc1ccc(C)cc1-c1nsc2cc(F)c(C)cc12.
What is the InChIKey of 6-fluoro-3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole?
The InChIKey is CXWMZUDZYKDYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNOS/c1-9-4-5-14(19-3)11(6-9)16-12-7-10(2)13(17)8-15(12)20-18-16/h4-8H,1-3H3.
What are the key properties of 6-fluoro-3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole?
6-fluoro-3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole has a molecular weight of 287.36 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole is sourced from PubChem (CID 18683312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).