5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one

C12H13N3OS — CID 135524350

IUPAC5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESCC(C)=NN=C1NC(=O)C(c2ccccc2)S1
InChIInChI=1S/C12H13N3OS/c1-8(2)14-15-12-13-11(16)10(17-12)9-6-4-3-5-7-9/h3-7,10H,1-2H3,(H,13,15,16)
InChIKeyFTOCWLVOGBQNGH-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.34
Rot. Bonds2

About 5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one

5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one (PubChem CID 135524350) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
PubChem CID135524350
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESCC(C)=NN=C1NC(=O)C(c2ccccc2)S1
InChIInChI=1S/C12H13N3OS/c1-8(2)14-15-12-13-11(16)10(17-12)9-6-4-3-5-7-9/h3-7,10H,1-2H3,(H,13,15,16)
InChIKeyFTOCWLVOGBQNGH-UHFFFAOYSA-N
XLogP2.34
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

6-phenyl-3-prop-2-ynylsulfanyl-2H-1,2,4-triazin-5-one
CID 135420625
6-Methyl-3-phenethylsulfanyl-2H-[1,2,4]triazin-5-one
CID 135399067
3-(Methylsulfanyl)-6-phenyl-1,2,4-triazin-5(2H)-one
CID 135450607
3-[(2-methylbenzyl)thio]-6-phenyl-1,2,4-triazin-5(4H)-one
CID 135471690
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide
CID 2796389
3-(Benzylsulfanyl)-6-methyl-1,2,4-triazin-5-ol
CID 135408457
3-Benzylsulfanyl-6-phenyl-4H-[1,2,4]triazin-5-one
CID 135430115
(2E)-5-ethyl-2-[(E)-1-(4-methylphenyl)sulfanylpropan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136203732
5-Benzyl-2-imino-1,3-thiazolan-4-one
CID 137629431
(Z)-5-benzyl-2-((E)-(1-phenylethylidene)hydrazono)thiazolidin-4-one
CID 135472832
5-Benzyl-1,3-thiazolidine-2,4-dione 2-[(1-methylethylidene)hydrazone]
CID 135817227
6-Benzyl-3-(methylsulfanyl)-1,2,4-triazin-5(2H)-one
CID 135479640

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of 5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one (CID 135524350) is 5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for 5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one is CC(C)=NN=C1NC(=O)C(c2ccccc2)S1.
What is the InChIKey of 5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The InChIKey is FTOCWLVOGBQNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8(2)14-15-12-13-11(16)10(17-12)9-6-4-3-5-7-9/h3-7,10H,1-2H3,(H,13,15,16).
What are the key properties of 5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one has a molecular weight of 247.32 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135524350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).