2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine

C17H10F6N4S — CID 6089962

IUPAC2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine
SMILESFC(F)(F)/N=C1C(=N\C(F)(F)F)/S/C(=N\c2ccccc2)N/1c1ccccc1
InChIInChI=1S/C17H10F6N4S/c18-16(19,20)25-13-14(26-17(21,22)23)28-15(24-11-7-3-1-4-8-11)27(13)12-9-5-2-6-10-12/h1-10H/b24-15-,25-13-,26-14+
InChIKeyIZFZCMFMJKDHJZ-BGHXJAHWSA-N
MW416.35 g/mol
LogP5.76
Rot. Bonds2

About 2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine

2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine (PubChem CID 6089962) has the molecular formula C17H10F6N4S and a molecular weight of 416.35 g/mol. Its IUPAC name is 2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine.

Molecular Properties

Compound Name2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine
PubChem CID6089962
Molecular FormulaC17H10F6N4S
Molecular Weight416.35 g/mol
Exact Mass416.05
IUPAC Name2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine
SMILESFC(F)(F)/N=C1C(=N\C(F)(F)F)/S/C(=N\c2ccccc2)N/1c1ccccc1
InChIInChI=1S/C17H10F6N4S/c18-16(19,20)25-13-14(26-17(21,22)23)28-15(24-11-7-3-1-4-8-11)27(13)12-9-5-2-6-10-12/h1-10H/b24-15-,25-13-,26-14+
InChIKeyIZFZCMFMJKDHJZ-BGHXJAHWSA-N
XLogP5.76
TPSA40.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.35
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine?
The IUPAC name of 2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine (CID 6089962) is 2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine.
What is the SMILES notation for 2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine?
The canonical SMILES for 2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine is FC(F)(F)/N=C1C(=N\C(F)(F)F)/S/C(=N\c2ccccc2)N/1c1ccccc1.
What is the InChIKey of 2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine?
The InChIKey is IZFZCMFMJKDHJZ-BGHXJAHWSA-N. The full InChI is InChI=1S/C17H10F6N4S/c18-16(19,20)25-13-14(26-17(21,22)23)28-15(24-11-7-3-1-4-8-11)27(13)12-9-5-2-6-10-12/h1-10H/b24-15-,25-13-,26-14+.
What are the key properties of 2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine?
2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine has a molecular weight of 416.35 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-diphenyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine is sourced from PubChem (CID 6089962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).