2-(trifluoromethyl)-1,3-benzothiazol-5-ol

C8H4F3NOS — CID 84684346

IUPAC2-(trifluoromethyl)-1,3-benzothiazol-5-ol
SMILESOc1ccc2sc(C(F)(F)F)nc2c1
InChIInChI=1S/C8H4F3NOS/c9-8(10,11)7-12-5-3-4(13)1-2-6(5)14-7/h1-3,13H
InChIKeyMTWQQLHSPYATOX-UHFFFAOYSA-N
MW219.19 g/mol
LogP3.02
Rot. Bonds

About 2-(trifluoromethyl)-1,3-benzothiazol-5-ol

2-(trifluoromethyl)-1,3-benzothiazol-5-ol (PubChem CID 84684346) has the molecular formula C8H4F3NOS and a molecular weight of 219.19 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,3-benzothiazol-5-ol.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,3-benzothiazol-5-ol
PubChem CID84684346
Molecular FormulaC8H4F3NOS
Molecular Weight219.19 g/mol
Exact Mass219.00
IUPAC Name2-(trifluoromethyl)-1,3-benzothiazol-5-ol
SMILESOc1ccc2sc(C(F)(F)F)nc2c1
InChIInChI=1S/C8H4F3NOS/c9-8(10,11)7-12-5-3-4(13)1-2-6(5)14-7/h1-3,13H
InChIKeyMTWQQLHSPYATOX-UHFFFAOYSA-N
XLogP3.02
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,3-benzothiazol-5-ol?
The IUPAC name of 2-(trifluoromethyl)-1,3-benzothiazol-5-ol (CID 84684346) is 2-(trifluoromethyl)-1,3-benzothiazol-5-ol.
What is the SMILES notation for 2-(trifluoromethyl)-1,3-benzothiazol-5-ol?
The canonical SMILES for 2-(trifluoromethyl)-1,3-benzothiazol-5-ol is Oc1ccc2sc(C(F)(F)F)nc2c1.
What is the InChIKey of 2-(trifluoromethyl)-1,3-benzothiazol-5-ol?
The InChIKey is MTWQQLHSPYATOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3NOS/c9-8(10,11)7-12-5-3-4(13)1-2-6(5)14-7/h1-3,13H.
What are the key properties of 2-(trifluoromethyl)-1,3-benzothiazol-5-ol?
2-(trifluoromethyl)-1,3-benzothiazol-5-ol has a molecular weight of 219.19 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,3-benzothiazol-5-ol is sourced from PubChem (CID 84684346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).