2-(4-fluorophenyl)imino-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one

C16H12F2N2OS — CID 135473286

IUPAC2-(4-fluorophenyl)imino-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(F)cc2)SC1Cc1ccc(F)cc1
InChIInChI=1S/C16H12F2N2OS/c17-11-3-1-10(2-4-11)9-14-15(21)20-16(22-14)19-13-7-5-12(18)6-8-13/h1-8,14H,9H2,(H,19,20,21)
InChIKeyHSBFMPCYFMWBFX-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.43
Rot. Bonds3

About 2-(4-fluorophenyl)imino-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one

2-(4-fluorophenyl)imino-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135473286) has the molecular formula C16H12F2N2OS and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)imino-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)imino-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID135473286
Molecular FormulaC16H12F2N2OS
Molecular Weight318.35 g/mol
Exact Mass318.06
IUPAC Name2-(4-fluorophenyl)imino-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(F)cc2)SC1Cc1ccc(F)cc1
InChIInChI=1S/C16H12F2N2OS/c17-11-3-1-10(2-4-11)9-14-15(21)20-16(22-14)19-13-7-5-12(18)6-8-13/h1-8,14H,9H2,(H,19,20,21)
InChIKeyHSBFMPCYFMWBFX-UHFFFAOYSA-N
XLogP3.43
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.43
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

4-Thiazolidinone, 5-benzylidene-2-phenylimino-
CID 135411779
(5R)-2-[(2-Fluorophenyl)amino]-5-isopropyl-1,3-thiazol-4(5H)-one
CID 135566336
5-ethyl-2-[(2-methylphenyl)amino]-1,3-thiazol-4(5H)-one
CID 135450677
5-Methyl-5-(propan-2-yl)-2-{[2-(trifluoromethyl)phenyl]amino}-4,5-dihydro-1,3-thiazol-4-one
CID 135678109
2-(3-Trifluoromethyl-phenylamino)-thiazol-4-one
CID 135448709
2-[(Z)-4-Ethyl-phenylimino]-thiazolidin-4-one
CID 135468637
5-Isopropyl-2-[(2-methylphenyl)amino]-1,3-thiazol-4(5H)-one
CID 135414361
(2E,5Z)-5-(4-fluorobenzylidene)-2-(phenylimino)-1,3-thiazolidin-4-one
CID 135518519
2-(2-Fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135581720
5-Propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135950129
2-(2,4-Difluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989130
5-Cyclohexyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135989258

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)imino-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)imino-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one (CID 135473286) is 2-(4-fluorophenyl)imino-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)imino-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)imino-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccc(F)cc2)SC1Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)imino-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is HSBFMPCYFMWBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2OS/c17-11-3-1-10(2-4-11)9-14-15(21)20-16(22-14)19-13-7-5-12(18)6-8-13/h1-8,14H,9H2,(H,19,20,21).
What are the key properties of 2-(4-fluorophenyl)imino-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
2-(4-fluorophenyl)imino-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 318.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)imino-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135473286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).