3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-ol

C14H8F3NOS — CID 135847955

IUPAC3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-ol
SMILESOc1ccc2c(-c3ccc(C(F)(F)F)cc3)nsc2c1
InChIInChI=1S/C14H8F3NOS/c15-14(16,17)9-3-1-8(2-4-9)13-11-6-5-10(19)7-12(11)20-18-13/h1-7,19H
InChIKeyFIYGBTMHPVSKNN-UHFFFAOYSA-N
MW295.29 g/mol
LogP4.69
Rot. Bonds1

About 3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-ol

3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-ol (PubChem CID 135847955) has the molecular formula C14H8F3NOS and a molecular weight of 295.29 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-ol.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-ol
PubChem CID135847955
Molecular FormulaC14H8F3NOS
Molecular Weight295.29 g/mol
Exact Mass295.03
IUPAC Name3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-ol
SMILESOc1ccc2c(-c3ccc(C(F)(F)F)cc3)nsc2c1
InChIInChI=1S/C14H8F3NOS/c15-14(16,17)9-3-1-8(2-4-9)13-11-6-5-10(19)7-12(11)20-18-13/h1-7,19H
InChIKeyFIYGBTMHPVSKNN-UHFFFAOYSA-N
XLogP4.69
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-1,2-benzothiazol-6-ol
CID 135847954
N-methyl-N-prop-2-enyl-3-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]prop-2-yn-1-amine
CID 22313929
N-(2-methoxyethyl)-N-methyl-3-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]prop-2-yn-1-amine
CID 22314046
4-(trifluoromethyl)(18F)phenol
CID 71660610
[3-(4-chlorophenyl)-1,2-benzothiazol-6-yl] trifluoromethanesulfonate
CID 86585419
2-[4-(trifluoromethyl)phenyl]pyridine-3,5-diol
CID 175417791
7-hydroxy-3-[4-(trifluoromethyl)phenyl]chromen-4-one
CID 25211267
4-[6-(4-hydroxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]phenol
CID 136862136
(E)-3-[4-[[6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1-benzothiophen-3-yl]oxy]phenyl]prop-2-enoic acid
CID 78322700
2-[4-(trifluoromethyl)phenyl]phenol
CID 11230142
3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde
CID 175212407
[2-chloro-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
CID 131866706

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-ol?
The IUPAC name of 3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-ol (CID 135847955) is 3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-ol.
What is the SMILES notation for 3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-ol?
The canonical SMILES for 3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-ol is Oc1ccc2c(-c3ccc(C(F)(F)F)cc3)nsc2c1.
What is the InChIKey of 3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-ol?
The InChIKey is FIYGBTMHPVSKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NOS/c15-14(16,17)9-3-1-8(2-4-9)13-11-6-5-10(19)7-12(11)20-18-13/h1-7,19H.
What are the key properties of 3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-ol?
3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-ol has a molecular weight of 295.29 g/mol, XLogP of 4.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-ol is sourced from PubChem (CID 135847955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).