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

C12H13N3OS — CID 135509610

IUPAC(2Z)-5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESCC(C)=N/N=C1/NC(=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 (2Z)-5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one

(2Z)-5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one (PubChem CID 135509610) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is (2Z)-5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
PubChem CID135509610
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name(2Z)-5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESCC(C)=N/N=C1/NC(=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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Frequently Asked Questions

What is the IUPAC name of (2Z)-5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one (CID 135509610) is (2Z)-5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one is CC(C)=N/N=C1/NC(=O)C(c2ccccc2)S1.
What is the InChIKey of (2Z)-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 (2Z)-5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
(2Z)-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 (2Z)-5-phenyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135509610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).