2-(thiophen-2-ylmethylimino)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

C15H11F3N2OS2 — CID 139220997

IUPAC2-(thiophen-2-ylmethylimino)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\Cc2cccs2)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3N2OS2/c16-15(17,18)10-3-1-4-11(7-10)20-13(21)9-23-14(20)19-8-12-5-2-6-22-12/h1-7H,8-9H2/b19-14-
InChIKeyNUXKIWGHWQSVGO-RGEXLXHISA-N
MW356.39 g/mol
LogP4.40
Rot. Bonds3

About 2-(thiophen-2-ylmethylimino)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

2-(thiophen-2-ylmethylimino)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 139220997) has the molecular formula C15H11F3N2OS2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethylimino)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(thiophen-2-ylmethylimino)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID139220997
Molecular FormulaC15H11F3N2OS2
Molecular Weight356.39 g/mol
Exact Mass356.03
IUPAC Name2-(thiophen-2-ylmethylimino)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\Cc2cccs2)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3N2OS2/c16-15(17,18)10-3-1-4-11(7-10)20-13(21)9-23-14(20)19-8-12-5-2-6-22-12/h1-7H,8-9H2/b19-14-
InChIKeyNUXKIWGHWQSVGO-RGEXLXHISA-N
XLogP4.40
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 134815215
5-hydroxy-N-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]thiophene-2-carboxamide
CID 134483287
3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110554074
2-[3-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione
CID 82905845
3-[2,5-dioxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid
CID 10384140
3-phenylsulfanyl-4-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110554086
3-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 42625459
3-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 139220978
(4R)-4-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 1267490
6-(hydroxymethyl)-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 115009972
(1R,2R,6S,7R)-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 21239547
2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-2-benzazepine-1,3-dione
CID 67936184

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethylimino)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(thiophen-2-ylmethylimino)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 139220997) is 2-(thiophen-2-ylmethylimino)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(thiophen-2-ylmethylimino)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(thiophen-2-ylmethylimino)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is O=C1CS/C(=N\Cc2cccs2)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(thiophen-2-ylmethylimino)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is NUXKIWGHWQSVGO-RGEXLXHISA-N. The full InChI is InChI=1S/C15H11F3N2OS2/c16-15(17,18)10-3-1-4-11(7-10)20-13(21)9-23-14(20)19-8-12-5-2-6-22-12/h1-7H,8-9H2/b19-14-.
What are the key properties of 2-(thiophen-2-ylmethylimino)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
2-(thiophen-2-ylmethylimino)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 356.39 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethylimino)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 139220997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).