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

C15H12FNOS — CID 134968449

IUPAC6-fluoro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole
SMILESCOc1cccc(C)c1-c1nc2ccc(F)cc2s1
InChIInChI=1S/C15H12FNOS/c1-9-4-3-5-12(18-2)14(9)15-17-11-7-6-10(16)8-13(11)19-15/h3-8H,1-2H3
InChIKeyWZCQSIMDDUPXEC-UHFFFAOYSA-N
MW273.33 g/mol
LogP4.42
Rot. Bonds2

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

6-fluoro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole (PubChem CID 134968449) has the molecular formula C15H12FNOS and a molecular weight of 273.33 g/mol. Its IUPAC name is 6-fluoro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-fluoro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole
PubChem CID134968449
Molecular FormulaC15H12FNOS
Molecular Weight273.33 g/mol
Exact Mass273.06
IUPAC Name6-fluoro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole
SMILESCOc1cccc(C)c1-c1nc2ccc(F)cc2s1
InChIInChI=1S/C15H12FNOS/c1-9-4-3-5-12(18-2)14(9)15-17-11-7-6-10(16)8-13(11)19-15/h3-8H,1-2H3
InChIKeyWZCQSIMDDUPXEC-UHFFFAOYSA-N
XLogP4.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-2-(2-methoxy-6-methylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole?
The IUPAC name of 6-fluoro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole (CID 134968449) is 6-fluoro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole.
What is the SMILES notation for 6-fluoro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole?
The canonical SMILES for 6-fluoro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole is COc1cccc(C)c1-c1nc2ccc(F)cc2s1.
What is the InChIKey of 6-fluoro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole?
The InChIKey is WZCQSIMDDUPXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNOS/c1-9-4-3-5-12(18-2)14(9)15-17-11-7-6-10(16)8-13(11)19-15/h3-8H,1-2H3.
What are the key properties of 6-fluoro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole?
6-fluoro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole has a molecular weight of 273.33 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole is sourced from PubChem (CID 134968449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).