2-[2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-3-yl]ethanol

C12H13F3N2OS — CID 4852850

IUPAC2-[2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-3-yl]ethanol
SMILESOCCN1CCS/C1=N\c1ccccc1C(F)(F)F
InChIInChI=1S/C12H13F3N2OS/c13-12(14,15)9-3-1-2-4-10(9)16-11-17(5-7-18)6-8-19-11/h1-4,18H,5-8H2/b16-11-
InChIKeyJNLPWVLOLXMRPK-WJDWOHSUSA-N
MW290.31 g/mol
LogP2.73
Rot. Bonds3

About 2-[2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-3-yl]ethanol

2-[2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-3-yl]ethanol (PubChem CID 4852850) has the molecular formula C12H13F3N2OS and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-[2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-3-yl]ethanol
PubChem CID4852850
Molecular FormulaC12H13F3N2OS
Molecular Weight290.31 g/mol
Exact Mass290.07
IUPAC Name2-[2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-3-yl]ethanol
SMILESOCCN1CCS/C1=N\c1ccccc1C(F)(F)F
InChIInChI=1S/C12H13F3N2OS/c13-12(14,15)9-3-1-2-4-10(9)16-11-17(5-7-18)6-8-19-11/h1-4,18H,5-8H2/b16-11-
InChIKeyJNLPWVLOLXMRPK-WJDWOHSUSA-N
XLogP2.73
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-3-yl]ethanol?
The IUPAC name of 2-[2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-3-yl]ethanol (CID 4852850) is 2-[2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-3-yl]ethanol.
What is the SMILES notation for 2-[2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-3-yl]ethanol?
The canonical SMILES for 2-[2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-3-yl]ethanol is OCCN1CCS/C1=N\c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-3-yl]ethanol?
The InChIKey is JNLPWVLOLXMRPK-WJDWOHSUSA-N. The full InChI is InChI=1S/C12H13F3N2OS/c13-12(14,15)9-3-1-2-4-10(9)16-11-17(5-7-18)6-8-19-11/h1-4,18H,5-8H2/b16-11-.
What are the key properties of 2-[2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-3-yl]ethanol?
2-[2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-3-yl]ethanol has a molecular weight of 290.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-3-yl]ethanol is sourced from PubChem (CID 4852850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).