2-(1,3-benzothiazol-2-yl)-4-(trifluoromethyl)phenol

C14H8F3NOS — CID 135553198

IUPAC2-(1,3-benzothiazol-2-yl)-4-(trifluoromethyl)phenol
SMILESOc1ccc(C(F)(F)F)cc1-c1nc2ccccc2s1
InChIInChI=1S/C14H8F3NOS/c15-14(16,17)8-5-6-11(19)9(7-8)13-18-10-3-1-2-4-12(10)20-13/h1-7,19H
InChIKeyDEPFEVCWOYFTQG-UHFFFAOYSA-N
MW295.29 g/mol
LogP4.69
Rot. Bonds1

About 2-(1,3-benzothiazol-2-yl)-4-(trifluoromethyl)phenol

2-(1,3-benzothiazol-2-yl)-4-(trifluoromethyl)phenol (PubChem CID 135553198) has the molecular formula C14H8F3NOS and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-4-(trifluoromethyl)phenol
PubChem CID135553198
Molecular FormulaC14H8F3NOS
Molecular Weight295.29 g/mol
Exact Mass295.03
IUPAC Name2-(1,3-benzothiazol-2-yl)-4-(trifluoromethyl)phenol
SMILESOc1ccc(C(F)(F)F)cc1-c1nc2ccccc2s1
InChIInChI=1S/C14H8F3NOS/c15-14(16,17)8-5-6-11(19)9(7-8)13-18-10-3-1-2-4-12(10)20-13/h1-7,19H
InChIKeyDEPFEVCWOYFTQG-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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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-4-(trifluoromethyl)phenol?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-4-(trifluoromethyl)phenol (CID 135553198) is 2-(1,3-benzothiazol-2-yl)-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-4-(trifluoromethyl)phenol?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-4-(trifluoromethyl)phenol is Oc1ccc(C(F)(F)F)cc1-c1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-4-(trifluoromethyl)phenol?
The InChIKey is DEPFEVCWOYFTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NOS/c15-14(16,17)8-5-6-11(19)9(7-8)13-18-10-3-1-2-4-12(10)20-13/h1-7,19H.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-4-(trifluoromethyl)phenol?
2-(1,3-benzothiazol-2-yl)-4-(trifluoromethyl)phenol 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 2-(1,3-benzothiazol-2-yl)-4-(trifluoromethyl)phenol is sourced from PubChem (CID 135553198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).