6-methoxy-3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole

C15H10F3NOS — CID 22313952

IUPAC6-methoxy-3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole
SMILESCOc1ccc2c(-c3ccc(C(F)(F)F)cc3)nsc2c1
InChIInChI=1S/C15H10F3NOS/c1-20-11-6-7-12-13(8-11)21-19-14(12)9-2-4-10(5-3-9)15(16,17)18/h2-8H,1H3
InChIKeyKZRIJTDXVJHBPD-UHFFFAOYSA-N
MW309.31 g/mol
LogP4.99
Rot. Bonds2

About 6-methoxy-3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole

6-methoxy-3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole (PubChem CID 22313952) has the molecular formula C15H10F3NOS and a molecular weight of 309.31 g/mol. Its IUPAC name is 6-methoxy-3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole.

Molecular Properties

Compound Name6-methoxy-3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole
PubChem CID22313952
Molecular FormulaC15H10F3NOS
Molecular Weight309.31 g/mol
Exact Mass309.04
IUPAC Name6-methoxy-3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole
SMILESCOc1ccc2c(-c3ccc(C(F)(F)F)cc3)nsc2c1
InChIInChI=1S/C15H10F3NOS/c1-20-11-6-7-12-13(8-11)21-19-14(12)9-2-4-10(5-3-9)15(16,17)18/h2-8H,1H3
InChIKeyKZRIJTDXVJHBPD-UHFFFAOYSA-N
XLogP4.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-3-[4-(trifluoromethyl)phenyl]-1,2-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-methoxy-3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole?
The IUPAC name of 6-methoxy-3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole (CID 22313952) is 6-methoxy-3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole.
What is the SMILES notation for 6-methoxy-3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole?
The canonical SMILES for 6-methoxy-3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole is COc1ccc2c(-c3ccc(C(F)(F)F)cc3)nsc2c1.
What is the InChIKey of 6-methoxy-3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole?
The InChIKey is KZRIJTDXVJHBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NOS/c1-20-11-6-7-12-13(8-11)21-19-14(12)9-2-4-10(5-3-9)15(16,17)18/h2-8H,1H3.
What are the key properties of 6-methoxy-3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole?
6-methoxy-3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole has a molecular weight of 309.31 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole is sourced from PubChem (CID 22313952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).