2-(thiophen-2-ylmethylidenehydrazinylidene)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one

C16H12F3N3OS2 — CID 135497537

IUPAC2-(thiophen-2-ylmethylidenehydrazinylidene)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
SMILESO=C1NC(=NN=Cc2cccs2)SC1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12F3N3OS2/c17-16(18,19)11-4-1-3-10(7-11)8-13-14(23)21-15(25-13)22-20-9-12-5-2-6-24-12/h1-7,9,13H,8H2,(H,21,22,23)
InChIKeyAOVCQZBXLKWORT-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.93
Rot. Bonds4

About 2-(thiophen-2-ylmethylidenehydrazinylidene)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one

2-(thiophen-2-ylmethylidenehydrazinylidene)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one (PubChem CID 135497537) has the molecular formula C16H12F3N3OS2 and a molecular weight of 383.42 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethylidenehydrazinylidene)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(thiophen-2-ylmethylidenehydrazinylidene)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
PubChem CID135497537
Molecular FormulaC16H12F3N3OS2
Molecular Weight383.42 g/mol
Exact Mass383.04
IUPAC Name2-(thiophen-2-ylmethylidenehydrazinylidene)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
SMILESO=C1NC(=NN=Cc2cccs2)SC1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12F3N3OS2/c17-16(18,19)11-4-1-3-10(7-11)8-13-14(23)21-15(25-13)22-20-9-12-5-2-6-24-12/h1-7,9,13H,8H2,(H,21,22,23)
InChIKeyAOVCQZBXLKWORT-UHFFFAOYSA-N
XLogP3.93
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethylidenehydrazinylidene)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(thiophen-2-ylmethylidenehydrazinylidene)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one (CID 135497537) is 2-(thiophen-2-ylmethylidenehydrazinylidene)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(thiophen-2-ylmethylidenehydrazinylidene)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(thiophen-2-ylmethylidenehydrazinylidene)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one is O=C1NC(=NN=Cc2cccs2)SC1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(thiophen-2-ylmethylidenehydrazinylidene)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The InChIKey is AOVCQZBXLKWORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3OS2/c17-16(18,19)11-4-1-3-10(7-11)8-13-14(23)21-15(25-13)22-20-9-12-5-2-6-24-12/h1-7,9,13H,8H2,(H,21,22,23).
What are the key properties of 2-(thiophen-2-ylmethylidenehydrazinylidene)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
2-(thiophen-2-ylmethylidenehydrazinylidene)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one has a molecular weight of 383.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethylidenehydrazinylidene)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135497537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).