5-(trifluoromethyl)-1,2-benzothiazole

C8H4F3NS — CID 84671236

IUPAC5-(trifluoromethyl)-1,2-benzothiazole
SMILESFC(F)(F)c1ccc2sncc2c1
InChIInChI=1S/C8H4F3NS/c9-8(10,11)6-1-2-7-5(3-6)4-12-13-7/h1-4H
InChIKeyWEMQMCXRNNSHAI-UHFFFAOYSA-N
MW203.19 g/mol
LogP3.32
Rot. Bonds

About 5-(trifluoromethyl)-1,2-benzothiazole

5-(trifluoromethyl)-1,2-benzothiazole (PubChem CID 84671236) has the molecular formula C8H4F3NS and a molecular weight of 203.19 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1,2-benzothiazole.

Molecular Properties

Compound Name5-(trifluoromethyl)-1,2-benzothiazole
PubChem CID84671236
Molecular FormulaC8H4F3NS
Molecular Weight203.19 g/mol
Exact Mass203.00
IUPAC Name5-(trifluoromethyl)-1,2-benzothiazole
SMILESFC(F)(F)c1ccc2sncc2c1
InChIInChI=1S/C8H4F3NS/c9-8(10,11)6-1-2-7-5(3-6)4-12-13-7/h1-4H
InChIKeyWEMQMCXRNNSHAI-UHFFFAOYSA-N
XLogP3.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzisothiazole
CID 9225
3-Fluoro-1,2-benzothiazole
CID 129816468
Benzo[1,2-d:5,4-d']diisothiazole
CID 12394135
5-Methylbenzo[d]isothiazole
CID 19082356
Benzothiazonine
CID 20541342
Naphthothiazolen
CID 46892800
5-Fluorobenzo[d]isothiazole
CID 17842478
7-Fluorobenzo[d]isothiazole
CID 19387303
6-Fluorobenzo[D]isothiazole
CID 21757035
4-Fluoro-1,2-benzothiazole
CID 54459201
5-(2,4-Difluorophenyl)benzo[d]isothiazole
CID 67075296
3-Methyl-5-(trifluoromethyl)-1,2-benzothiazole
CID 90163020

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1,2-benzothiazole?
The IUPAC name of 5-(trifluoromethyl)-1,2-benzothiazole (CID 84671236) is 5-(trifluoromethyl)-1,2-benzothiazole.
What is the SMILES notation for 5-(trifluoromethyl)-1,2-benzothiazole?
The canonical SMILES for 5-(trifluoromethyl)-1,2-benzothiazole is FC(F)(F)c1ccc2sncc2c1.
What is the InChIKey of 5-(trifluoromethyl)-1,2-benzothiazole?
The InChIKey is WEMQMCXRNNSHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3NS/c9-8(10,11)6-1-2-7-5(3-6)4-12-13-7/h1-4H.
What are the key properties of 5-(trifluoromethyl)-1,2-benzothiazole?
5-(trifluoromethyl)-1,2-benzothiazole has a molecular weight of 203.19 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1,2-benzothiazole is sourced from PubChem (CID 84671236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).