4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-ol

C18H11F9N2OS — CID 127050347

IUPAC4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-ol
SMILESOC1(C(F)(F)F)CS/C(=N\c2cccc(C(F)(F)F)c2)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H11F9N2OS/c19-16(20,21)10-3-1-5-12(7-10)28-14-29(15(30,9-31-14)18(25,26)27)13-6-2-4-11(8-13)17(22,23)24/h1-8,30H,9H2/b28-14-
InChIKeyXEJMQNMDWNXGSM-MUXKCCDJSA-N
MW474.35 g/mol
LogP6.22
Rot. Bonds2

About 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-ol

4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-ol (PubChem CID 127050347) has the molecular formula C18H11F9N2OS and a molecular weight of 474.35 g/mol. Its IUPAC name is 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-ol.

Molecular Properties

Compound Name4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-ol
PubChem CID127050347
Molecular FormulaC18H11F9N2OS
Molecular Weight474.35 g/mol
Exact Mass474.04
IUPAC Name4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-ol
SMILESOC1(C(F)(F)F)CS/C(=N\c2cccc(C(F)(F)F)c2)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H11F9N2OS/c19-16(20,21)10-3-1-5-12(7-10)28-14-29(15(30,9-31-14)18(25,26)27)13-6-2-4-11(8-13)17(22,23)24/h1-8,30H,9H2/b28-14-
InChIKeyXEJMQNMDWNXGSM-MUXKCCDJSA-N
XLogP6.22
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.35
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-3-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]imino-thiazolidin-4-one
CID 134815437
3-m-Tolyl-2-m-tolylimino-thiazolidin-4-one
CID 1244300
(2Z)-3-benzyl-2-[3-(trifluoromethyl)phenyl]imino-thiazolidin-4-one
CID 3139645
4-Hydroxy-3-phenyl-2-phenylimino-4-trifluoromethylthiazolidine
CID 15717195
(2Z)-3-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-thiazolidin-4-one
CID 134815214
(2Z)-3-(3-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-thiazolidin-4-one
CID 134815374
N-(2,4-difluorophenyl)-2-[4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 136187702
3-(2,4-Difluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 139220978
3-(4-Methylphenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 139220980
3-Phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 139220981
2-(2,4-Difluorophenyl)imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 139220991
2-(4-Methylphenyl)imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 139220993

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-ol?
The IUPAC name of 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-ol (CID 127050347) is 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-ol.
What is the SMILES notation for 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-ol?
The canonical SMILES for 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-ol is OC1(C(F)(F)F)CS/C(=N\c2cccc(C(F)(F)F)c2)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-ol?
The InChIKey is XEJMQNMDWNXGSM-MUXKCCDJSA-N. The full InChI is InChI=1S/C18H11F9N2OS/c19-16(20,21)10-3-1-5-12(7-10)28-14-29(15(30,9-31-14)18(25,26)27)13-6-2-4-11(8-13)17(22,23)24/h1-8,30H,9H2/b28-14-.
What are the key properties of 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-ol?
4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-ol has a molecular weight of 474.35 g/mol, XLogP of 6.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-ol is sourced from PubChem (CID 127050347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).