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

C16H13F2N3OS3 — CID 135503259

IUPAC5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESO=C1NC(=NN=Cc2cccs2)SC1Cc1ccc(SC(F)F)cc1
InChIInChI=1S/C16H13F2N3OS3/c17-15(18)24-11-5-3-10(4-6-11)8-13-14(22)20-16(25-13)21-19-9-12-2-1-7-23-12/h1-7,9,13,15H,8H2,(H,20,21,22)
InChIKeyMDUJEVDLFHTHII-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.23
Rot. Bonds6

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

5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one (PubChem CID 135503259) has the molecular formula C16H13F2N3OS3 and a molecular weight of 397.50 g/mol. Its IUPAC name is 5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
PubChem CID135503259
Molecular FormulaC16H13F2N3OS3
Molecular Weight397.50 g/mol
Exact Mass397.02
IUPAC Name5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESO=C1NC(=NN=Cc2cccs2)SC1Cc1ccc(SC(F)F)cc1
InChIInChI=1S/C16H13F2N3OS3/c17-15(18)24-11-5-3-10(4-6-11)8-13-14(22)20-16(25-13)21-19-9-12-2-1-7-23-12/h1-7,9,13,15H,8H2,(H,20,21,22)
InChIKeyMDUJEVDLFHTHII-UHFFFAOYSA-N
XLogP4.23
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of 5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one (CID 135503259) is 5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one is O=C1NC(=NN=Cc2cccs2)SC1Cc1ccc(SC(F)F)cc1.
What is the InChIKey of 5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The InChIKey is MDUJEVDLFHTHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3OS3/c17-15(18)24-11-5-3-10(4-6-11)8-13-14(22)20-16(25-13)21-19-9-12-2-1-7-23-12/h1-7,9,13,15H,8H2,(H,20,21,22).
What are the key properties of 5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one has a molecular weight of 397.50 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135503259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).