5-(trifluoromethyl)-1,3-benzothiazole

C8H4F3NS — CID 19937247

IUPAC5-(trifluoromethyl)-1,3-benzothiazole
SMILESFC(F)(F)c1ccc2scnc2c1
InChIInChI=1S/C8H4F3NS/c9-8(10,11)5-1-2-7-6(3-5)12-4-13-7/h1-4H
InChIKeyODSGKKPRKQLYDA-UHFFFAOYSA-N
MW203.19 g/mol
LogP3.32
Rot. Bonds

About 5-(trifluoromethyl)-1,3-benzothiazole

5-(trifluoromethyl)-1,3-benzothiazole (PubChem CID 19937247) has the molecular formula C8H4F3NS and a molecular weight of 203.19 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name5-(trifluoromethyl)-1,3-benzothiazole
PubChem CID19937247
Molecular FormulaC8H4F3NS
Molecular Weight203.19 g/mol
Exact Mass203.00
IUPAC Name5-(trifluoromethyl)-1,3-benzothiazole
SMILESFC(F)(F)c1ccc2scnc2c1
InChIInChI=1S/C8H4F3NS/c9-8(10,11)5-1-2-7-6(3-5)12-4-13-7/h1-4H
InChIKeyODSGKKPRKQLYDA-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

Benzothiazole
CID 7222
2-Phenylbenzothiazole
CID 13439
Benzothiazole, 2,5-dimethyl-
CID 7227
Benzothiazolium, 3-methyl-, 4-methylbenzenesulfonate (1:1)
CID 22489
Benzothiazolium, 3-methyl-, iodide (1:1)
CID 2735081
Benzothiazolium, 3-ethyl-, iodide (1:1)
CID 10017139
4-(6-fluoro-1,3-benzothiazol-2-yl)-N,N-dimethylaniline
CID 46207983
benzothiazolium, 2,5-dimethyl-3-(3-sulfopropyl)-, inner salt
CID 103345
2-Chloro-6-methylbenzothiazole
CID 2049866
2-Styrylbenzothiazole
CID 6104260
6-Methylbenzothiazole
CID 3745455
Benzothiazole, 2-methyl-5-(trifluoromethyl)-
CID 67857

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1,3-benzothiazole?
The IUPAC name of 5-(trifluoromethyl)-1,3-benzothiazole (CID 19937247) is 5-(trifluoromethyl)-1,3-benzothiazole.
What is the SMILES notation for 5-(trifluoromethyl)-1,3-benzothiazole?
The canonical SMILES for 5-(trifluoromethyl)-1,3-benzothiazole is FC(F)(F)c1ccc2scnc2c1.
What is the InChIKey of 5-(trifluoromethyl)-1,3-benzothiazole?
The InChIKey is ODSGKKPRKQLYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3NS/c9-8(10,11)5-1-2-7-6(3-5)12-4-13-7/h1-4H.
What are the key properties of 5-(trifluoromethyl)-1,3-benzothiazole?
5-(trifluoromethyl)-1,3-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)-1,3-benzothiazole is sourced from PubChem (CID 19937247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).