6-methoxy-7-[4-(trifluoromethoxy)phenyl]-1,2-benzothiazole

C15H10F3NO2S — CID 131985815

IUPAC6-methoxy-7-[4-(trifluoromethoxy)phenyl]-1,2-benzothiazole
SMILESCOc1ccc2cnsc2c1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H10F3NO2S/c1-20-12-7-4-10-8-19-22-14(10)13(12)9-2-5-11(6-3-9)21-15(16,17)18/h2-8H,1H3
InChIKeyIGQGYDDPIVUBAY-UHFFFAOYSA-N
MW325.31 g/mol
LogP4.87
Rot. Bonds3

About 6-methoxy-7-[4-(trifluoromethoxy)phenyl]-1,2-benzothiazole

6-methoxy-7-[4-(trifluoromethoxy)phenyl]-1,2-benzothiazole (PubChem CID 131985815) has the molecular formula C15H10F3NO2S and a molecular weight of 325.31 g/mol. Its IUPAC name is 6-methoxy-7-[4-(trifluoromethoxy)phenyl]-1,2-benzothiazole.

Molecular Properties

Compound Name6-methoxy-7-[4-(trifluoromethoxy)phenyl]-1,2-benzothiazole
PubChem CID131985815
Molecular FormulaC15H10F3NO2S
Molecular Weight325.31 g/mol
Exact Mass325.04
IUPAC Name6-methoxy-7-[4-(trifluoromethoxy)phenyl]-1,2-benzothiazole
SMILESCOc1ccc2cnsc2c1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H10F3NO2S/c1-20-12-7-4-10-8-19-22-14(10)13(12)9-2-5-11(6-3-9)21-15(16,17)18/h2-8H,1H3
InChIKeyIGQGYDDPIVUBAY-UHFFFAOYSA-N
XLogP4.87
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-Bis(4-methoxyphenyl)isothiazole
CID 44564415
6-Methoxy-3-(4-trifluoromethyl-phenyl)-benzo[d]isothiazole
CID 22313952
7-Fluoro-4-methoxy-1,2-benzothiazole
CID 57485130
4-(3-Fluoro-4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole
CID 57800596
4-(3-Fluoro-4-methoxyphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-1,2-thiazole
CID 68058656
4-(Difluoromethoxy)benzo[d]isothiazole
CID 76538253
4-Fluoro-6-methoxy-1,2-benzothiazole
CID 130064204
5-Fluoro-6-methoxy-1,2-benzothiazole
CID 130064220
4-(4-Fluoro-6-methoxy-1,2-benzothiazol-7-yl)benzonitrile
CID 131985790
4-(5-Fluoro-6-methoxy-1,2-benzothiazol-7-yl)benzonitrile
CID 131985793
2-Fluoro-4-(6-methoxy-1,2-benzothiazol-7-yl)benzonitrile
CID 131985823
7-(4-Fluoronaphthalen-1-yl)-6-methoxy-1,2-benzothiazole
CID 131985834

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-[4-(trifluoromethoxy)phenyl]-1,2-benzothiazole?
The IUPAC name of 6-methoxy-7-[4-(trifluoromethoxy)phenyl]-1,2-benzothiazole (CID 131985815) is 6-methoxy-7-[4-(trifluoromethoxy)phenyl]-1,2-benzothiazole.
What is the SMILES notation for 6-methoxy-7-[4-(trifluoromethoxy)phenyl]-1,2-benzothiazole?
The canonical SMILES for 6-methoxy-7-[4-(trifluoromethoxy)phenyl]-1,2-benzothiazole is COc1ccc2cnsc2c1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 6-methoxy-7-[4-(trifluoromethoxy)phenyl]-1,2-benzothiazole?
The InChIKey is IGQGYDDPIVUBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO2S/c1-20-12-7-4-10-8-19-22-14(10)13(12)9-2-5-11(6-3-9)21-15(16,17)18/h2-8H,1H3.
What are the key properties of 6-methoxy-7-[4-(trifluoromethoxy)phenyl]-1,2-benzothiazole?
6-methoxy-7-[4-(trifluoromethoxy)phenyl]-1,2-benzothiazole has a molecular weight of 325.31 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-[4-(trifluoromethoxy)phenyl]-1,2-benzothiazole is sourced from PubChem (CID 131985815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).