5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C13H15N3OS2 — CID 136871961

IUPAC5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCC1SC(=N/N=C\CSc2ccccc2)NC1=O
InChIInChI=1S/C13H15N3OS2/c1-2-11-12(17)15-13(19-11)16-14-8-9-18-10-6-4-3-5-7-10/h3-8,11H,2,9H2,1H3,(H,15,16,17)/b14-8-
InChIKeyYXDJUKLUJWOPOU-ZSOIEALJSA-N
MW293.42 g/mol
LogP2.76
Rot. Bonds5

About 5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one

5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 136871961) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is 5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID136871961
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC Name5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCC1SC(=N/N=C\CSc2ccccc2)NC1=O
InChIInChI=1S/C13H15N3OS2/c1-2-11-12(17)15-13(19-11)16-14-8-9-18-10-6-4-3-5-7-10/h3-8,11H,2,9H2,1H3,(H,15,16,17)/b14-8-
InChIKeyYXDJUKLUJWOPOU-ZSOIEALJSA-N
XLogP2.76
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.76
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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Related Compounds

(2Z)-2-[(E)-2-(4-chlorophenyl)sulfanylethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135465341
5-ethyl-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135447174
(2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one
CID 135750886
5-ethyl-2-phenylimino-1,3-thiazolidin-4-one
CID 135523619
5-ethyl-2-[(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135476302
2-benzylimino-5-ethyl-1,3-thiazolidin-4-one
CID 137289996
(5R)-5-ethyl-2-(2-phenylpropylimino)-1,3-thiazolidin-4-one
CID 138544986
[3-[(Z)-[(E)-[(5S)-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenyl] benzenesulfonate
CID 135852385
(2Z,5S)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one
CID 135852398
2-[2-[(4-butylsulfanylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 168620226
2-[2-(benzylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135527920
(2Z,5S)-2-[(Z)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
CID 136843635

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 136871961) is 5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCC1SC(=N/N=C\CSc2ccccc2)NC1=O.
What is the InChIKey of 5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is YXDJUKLUJWOPOU-ZSOIEALJSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-2-11-12(17)15-13(19-11)16-14-8-9-18-10-6-4-3-5-7-10/h3-8,11H,2,9H2,1H3,(H,15,16,17)/b14-8-.
What are the key properties of 5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 293.42 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 136871961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).