2-benzyl-6-(trifluoromethoxy)-1,3-benzothiazole

C15H10F3NOS — CID 156595781

IUPAC2-benzyl-6-(trifluoromethoxy)-1,3-benzothiazole
SMILESFC(F)(F)Oc1ccc2nc(Cc3ccccc3)sc2c1
InChIInChI=1S/C15H10F3NOS/c16-15(17,18)20-11-6-7-12-13(9-11)21-14(19-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyNYQOTWXOLPEFPC-UHFFFAOYSA-N
MW309.31 g/mol
LogP4.79
Rot. Bonds3

About 2-benzyl-6-(trifluoromethoxy)-1,3-benzothiazole

2-benzyl-6-(trifluoromethoxy)-1,3-benzothiazole (PubChem CID 156595781) has the molecular formula C15H10F3NOS and a molecular weight of 309.31 g/mol. Its IUPAC name is 2-benzyl-6-(trifluoromethoxy)-1,3-benzothiazole.

Molecular Properties

Compound Name2-benzyl-6-(trifluoromethoxy)-1,3-benzothiazole
PubChem CID156595781
Molecular FormulaC15H10F3NOS
Molecular Weight309.31 g/mol
Exact Mass309.04
IUPAC Name2-benzyl-6-(trifluoromethoxy)-1,3-benzothiazole
SMILESFC(F)(F)Oc1ccc2nc(Cc3ccccc3)sc2c1
InChIInChI=1S/C15H10F3NOS/c16-15(17,18)20-11-6-7-12-13(9-11)21-14(19-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyNYQOTWXOLPEFPC-UHFFFAOYSA-N
XLogP4.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]methanamine
CID 162561361
2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride
CID 145148920
(2-benzyl-1,3-benzothiazol-6-yl)methanol
CID 177267046
N-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]methyl]prop-2-yn-1-amine
CID 56960296
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl] benzoate
CID 57027275
6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride
CID 6419992
2-methylsulfanyl-6-(trifluoromethoxy)-1,3-benzothiazole
CID 44820103
N-tert-butyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 134241624
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl] N-phenylcarbamate
CID 57469780
N-propan-2-yl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 118215837
2-(6-phenylmethoxy-1,3-benzothiazol-2-yl)ethanamine
CID 39106719
N-benzhydryl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazol-6-amine
CID 175425304

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(trifluoromethoxy)-1,3-benzothiazole?
The IUPAC name of 2-benzyl-6-(trifluoromethoxy)-1,3-benzothiazole (CID 156595781) is 2-benzyl-6-(trifluoromethoxy)-1,3-benzothiazole.
What is the SMILES notation for 2-benzyl-6-(trifluoromethoxy)-1,3-benzothiazole?
The canonical SMILES for 2-benzyl-6-(trifluoromethoxy)-1,3-benzothiazole is FC(F)(F)Oc1ccc2nc(Cc3ccccc3)sc2c1.
What is the InChIKey of 2-benzyl-6-(trifluoromethoxy)-1,3-benzothiazole?
The InChIKey is NYQOTWXOLPEFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NOS/c16-15(17,18)20-11-6-7-12-13(9-11)21-14(19-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2.
What are the key properties of 2-benzyl-6-(trifluoromethoxy)-1,3-benzothiazole?
2-benzyl-6-(trifluoromethoxy)-1,3-benzothiazole has a molecular weight of 309.31 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(trifluoromethoxy)-1,3-benzothiazole is sourced from PubChem (CID 156595781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).