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

C15H10F3NOS — CID 11255311

IUPAC6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
SMILESCOc1ccc2nc(-c3ccc(C(F)(F)F)cc3)sc2c1
InChIInChI=1S/C15H10F3NOS/c1-20-11-6-7-12-13(8-11)21-14(19-12)9-2-4-10(5-3-9)15(16,17)18/h2-8H,1H3
InChIKeyKELIQNUKQKLKFA-UHFFFAOYSA-N
MW309.31 g/mol
LogP4.99
Rot. Bonds2

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

6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole (PubChem CID 11255311) has the molecular formula C15H10F3NOS and a molecular weight of 309.31 g/mol. Its IUPAC name is 6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
PubChem CID11255311
Molecular FormulaC15H10F3NOS
Molecular Weight309.31 g/mol
Exact Mass309.04
IUPAC Name6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
SMILESCOc1ccc2nc(-c3ccc(C(F)(F)F)cc3)sc2c1
InChIInChI=1S/C15H10F3NOS/c1-20-11-6-7-12-13(8-11)21-14(19-12)9-2-4-10(5-3-9)15(16,17)18/h2-8H,1H3
InChIKeyKELIQNUKQKLKFA-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

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Related Compounds

2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole
CID 101474681
6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 126550023
2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole
CID 12939261
2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole
CID 146253203
6-methoxy-2-[4-[10-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole
CID 22960185
ethane;2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-amine
CID 144945336
2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
CID 58983612
6-methyl-2-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 166850249
6-methoxy-2-(3-methylphenyl)-1,3-benzothiazole
CID 25232186
2,6-dichloro-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 82830716
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 46845966
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]formamide
CID 57381913

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole?
The IUPAC name of 6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole (CID 11255311) is 6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole.
What is the SMILES notation for 6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole?
The canonical SMILES for 6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole is COc1ccc2nc(-c3ccc(C(F)(F)F)cc3)sc2c1.
What is the InChIKey of 6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole?
The InChIKey is KELIQNUKQKLKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NOS/c1-20-11-6-7-12-13(8-11)21-14(19-12)9-2-4-10(5-3-9)15(16,17)18/h2-8H,1H3.
What are the key properties of 6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole?
6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-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-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole is sourced from PubChem (CID 11255311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).