2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanol

C10H9F3N2O2S — CID 3076252

IUPAC2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanol
SMILES[H]/N=c1\sc2cc(OC(F)(F)F)ccc2n1CCO
InChIInChI=1S/C10H9F3N2O2S/c11-10(12,13)17-6-1-2-7-8(5-6)18-9(14)15(7)3-4-16/h1-2,5,14,16H,3-4H2/b14-9-
InChIKeySODICPUNWKPVDQ-ZROIWOOFSA-N
MW278.25 g/mol
LogP2.07
Rot. Bonds3

About 2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanol

2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanol (PubChem CID 3076252) has the molecular formula C10H9F3N2O2S and a molecular weight of 278.25 g/mol. Its IUPAC name is 2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanol
PubChem CID3076252
Molecular FormulaC10H9F3N2O2S
Molecular Weight278.25 g/mol
Exact Mass278.03
IUPAC Name2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanol
SMILES[H]/N=c1\sc2cc(OC(F)(F)F)ccc2n1CCO
InChIInChI=1S/C10H9F3N2O2S/c11-10(12,13)17-6-1-2-7-8(5-6)18-9(14)15(7)3-4-16/h1-2,5,14,16H,3-4H2/b14-9-
InChIKeySODICPUNWKPVDQ-ZROIWOOFSA-N
XLogP2.07
TPSA58.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanol?
The IUPAC name of 2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanol (CID 3076252) is 2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanol.
What is the SMILES notation for 2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanol?
The canonical SMILES for 2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanol is [H]/N=c1\sc2cc(OC(F)(F)F)ccc2n1CCO.
What is the InChIKey of 2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanol?
The InChIKey is SODICPUNWKPVDQ-ZROIWOOFSA-N. The full InChI is InChI=1S/C10H9F3N2O2S/c11-10(12,13)17-6-1-2-7-8(5-6)18-9(14)15(7)3-4-16/h1-2,5,14,16H,3-4H2/b14-9-.
What are the key properties of 2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanol?
2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanol has a molecular weight of 278.25 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanol is sourced from PubChem (CID 3076252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).