2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3-benzothiazole

C16H10F3NS — CID 7966865

IUPAC2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3-benzothiazole
SMILESFC(F)(F)c1ccccc1/C=C/c1nc2ccccc2s1
InChIInChI=1S/C16H10F3NS/c17-16(18,19)12-6-2-1-5-11(12)9-10-15-20-13-7-3-4-8-14(13)21-15/h1-10H/b10-9+
InChIKeyQJQLEKBFMCZMCA-MDZDMXLPSA-N
MW305.32 g/mol
LogP5.49
Rot. Bonds2

About 2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3-benzothiazole

2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3-benzothiazole (PubChem CID 7966865) has the molecular formula C16H10F3NS and a molecular weight of 305.32 g/mol. Its IUPAC name is 2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3-benzothiazole
PubChem CID7966865
Molecular FormulaC16H10F3NS
Molecular Weight305.32 g/mol
Exact Mass305.05
IUPAC Name2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3-benzothiazole
SMILESFC(F)(F)c1ccccc1/C=C/c1nc2ccccc2s1
InChIInChI=1S/C16H10F3NS/c17-16(18,19)12-6-2-1-5-11(12)9-10-15-20-13-7-3-4-8-14(13)21-15/h1-10H/b10-9+
InChIKeyQJQLEKBFMCZMCA-MDZDMXLPSA-N
XLogP5.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.32
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenol
CID 135794308
2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 1214783
(E)-2-(1,3-benzothiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 7791432
(E)-3-(1,3-benzothiazol-2-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 134047382
2-[(1E)-buta-1,3-dienyl]-1,3-benzothiazole
CID 21425799
2-[(E)-2-methoxyethenyl]-1,3-benzothiazole
CID 90475649
2-[(E)-2-[2-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-1,3-benzothiazole
CID 7966883
2-[(E)-2-(4-ethenylphenyl)ethenyl]-1,3-benzothiazole
CID 20727324
2-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-1,3-benzothiazole
CID 20727321
2-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1,3-benzothiazole
CID 11790904
2-[2-(3,4,5-trimethylthiophen-2-yl)ethenyl]-1,3-benzothiazole
CID 72648028
2-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethenyl]-1,3-benzothiazole
CID 127266508

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3-benzothiazole?
The IUPAC name of 2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3-benzothiazole (CID 7966865) is 2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3-benzothiazole is FC(F)(F)c1ccccc1/C=C/c1nc2ccccc2s1.
What is the InChIKey of 2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3-benzothiazole?
The InChIKey is QJQLEKBFMCZMCA-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H10F3NS/c17-16(18,19)12-6-2-1-5-11(12)9-10-15-20-13-7-3-4-8-14(13)21-15/h1-10H/b10-9+.
What are the key properties of 2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3-benzothiazole?
2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3-benzothiazole has a molecular weight of 305.32 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3-benzothiazole is sourced from PubChem (CID 7966865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).