2-[2-hydroxyethyl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]ethanol

C12H13F3N2O2S — CID 71864811

IUPAC2-[2-hydroxyethyl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]ethanol
SMILESOCCN(CCO)c1nc2cc(C(F)(F)F)ccc2s1
InChIInChI=1S/C12H13F3N2O2S/c13-12(14,15)8-1-2-10-9(7-8)16-11(20-10)17(3-5-18)4-6-19/h1-2,7,18-19H,3-6H2
InChIKeyPVBMJMYYCNADRW-UHFFFAOYSA-N
MW306.31 g/mol
LogP2.11
Rot. Bonds5

About 2-[2-hydroxyethyl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]ethanol

2-[2-hydroxyethyl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]ethanol (PubChem CID 71864811) has the molecular formula C12H13F3N2O2S and a molecular weight of 306.31 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]ethanol
PubChem CID71864811
Molecular FormulaC12H13F3N2O2S
Molecular Weight306.31 g/mol
Exact Mass306.06
IUPAC Name2-[2-hydroxyethyl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]ethanol
SMILESOCCN(CCO)c1nc2cc(C(F)(F)F)ccc2s1
InChIInChI=1S/C12H13F3N2O2S/c13-12(14,15)8-1-2-10-9(7-8)16-11(20-10)17(3-5-18)4-6-19/h1-2,7,18-19H,3-6H2
InChIKeyPVBMJMYYCNADRW-UHFFFAOYSA-N
XLogP2.11
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]ethanol (CID 71864811) is 2-[2-hydroxyethyl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]ethanol is OCCN(CCO)c1nc2cc(C(F)(F)F)ccc2s1.
What is the InChIKey of 2-[2-hydroxyethyl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]ethanol?
The InChIKey is PVBMJMYYCNADRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2S/c13-12(14,15)8-1-2-10-9(7-8)16-11(20-10)17(3-5-18)4-6-19/h1-2,7,18-19H,3-6H2.
What are the key properties of 2-[2-hydroxyethyl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]ethanol?
2-[2-hydroxyethyl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]ethanol has a molecular weight of 306.31 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]ethanol is sourced from PubChem (CID 71864811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).