2,2-diphenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol

C16H14F3NOS — CID 174269757

IUPAC2,2-diphenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol
SMILESOC1CN(C(F)(F)F)C(c2ccccc2)(c2ccccc2)S1
InChIInChI=1S/C16H14F3NOS/c17-16(18,19)20-11-14(21)22-15(20,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14,21H,11H2
InChIKeyBOYLAFUTTRFGPE-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.77
Rot. Bonds2

About 2,2-diphenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol

2,2-diphenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol (PubChem CID 174269757) has the molecular formula C16H14F3NOS and a molecular weight of 325.36 g/mol. Its IUPAC name is 2,2-diphenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol.

Molecular Properties

Compound Name2,2-diphenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol
PubChem CID174269757
Molecular FormulaC16H14F3NOS
Molecular Weight325.36 g/mol
Exact Mass325.07
IUPAC Name2,2-diphenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol
SMILESOC1CN(C(F)(F)F)C(c2ccccc2)(c2ccccc2)S1
InChIInChI=1S/C16H14F3NOS/c17-16(18,19)20-11-14(21)22-15(20,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14,21H,11H2
InChIKeyBOYLAFUTTRFGPE-UHFFFAOYSA-N
XLogP3.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol?
The IUPAC name of 2,2-diphenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol (CID 174269757) is 2,2-diphenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol.
What is the SMILES notation for 2,2-diphenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol?
The canonical SMILES for 2,2-diphenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol is OC1CN(C(F)(F)F)C(c2ccccc2)(c2ccccc2)S1.
What is the InChIKey of 2,2-diphenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol?
The InChIKey is BOYLAFUTTRFGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NOS/c17-16(18,19)20-11-14(21)22-15(20,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14,21H,11H2.
What are the key properties of 2,2-diphenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol?
2,2-diphenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol has a molecular weight of 325.36 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-3-(trifluoromethyl)-1,3-thiazolidin-5-ol is sourced from PubChem (CID 174269757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).