(2E)-5-methyl-2-(3-phenylprop-1-enylhydrazinylidene)-1,3-thiazolidin-4-one

C13H15N3OS — CID 135848277

IUPAC(2E)-5-methyl-2-(3-phenylprop-1-enylhydrazinylidene)-1,3-thiazolidin-4-one
SMILESCC1S/C(=N/NC=CCc2ccccc2)NC1=O
InChIInChI=1S/C13H15N3OS/c1-10-12(17)15-13(18-10)16-14-9-5-8-11-6-3-2-4-7-11/h2-7,9-10,14H,8H2,1H3,(H,15,16,17)
InChIKeyHHBQZHAVRFUADO-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.85
Rot. Bonds4

About (2E)-5-methyl-2-(3-phenylprop-1-enylhydrazinylidene)-1,3-thiazolidin-4-one

(2E)-5-methyl-2-(3-phenylprop-1-enylhydrazinylidene)-1,3-thiazolidin-4-one (PubChem CID 135848277) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is (2E)-5-methyl-2-(3-phenylprop-1-enylhydrazinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-5-methyl-2-(3-phenylprop-1-enylhydrazinylidene)-1,3-thiazolidin-4-one
PubChem CID135848277
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name(2E)-5-methyl-2-(3-phenylprop-1-enylhydrazinylidene)-1,3-thiazolidin-4-one
SMILESCC1S/C(=N/NC=CCc2ccccc2)NC1=O
InChIInChI=1S/C13H15N3OS/c1-10-12(17)15-13(18-10)16-14-9-5-8-11-6-3-2-4-7-11/h2-7,9-10,14H,8H2,1H3,(H,15,16,17)
InChIKeyHHBQZHAVRFUADO-UHFFFAOYSA-N
XLogP1.85
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
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

(2E)-2-(benzylidenehydrazinylidene)-5-methyl-1,3-thiazolidin-4-one
CID 135872888
2-[(E)-benzylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 137224715
2-[(Z)-benzylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 136678200
(5R)-5-methyl-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 137195595
(2Z)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135426041
(2Z,5S)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 136822476
(2Z,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135900795
2-methyl-N-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
CID 135714581
(5R)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 136747843
(2Z,5R)-5-methyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135881306
2-benzylimino-5-ethyl-1,3-thiazolidin-4-one
CID 137289996
(2Z,5S)-5-methyl-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135852057

Frequently Asked Questions

What is the IUPAC name of (2E)-5-methyl-2-(3-phenylprop-1-enylhydrazinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-5-methyl-2-(3-phenylprop-1-enylhydrazinylidene)-1,3-thiazolidin-4-one (CID 135848277) is (2E)-5-methyl-2-(3-phenylprop-1-enylhydrazinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-5-methyl-2-(3-phenylprop-1-enylhydrazinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-5-methyl-2-(3-phenylprop-1-enylhydrazinylidene)-1,3-thiazolidin-4-one is CC1S/C(=N/NC=CCc2ccccc2)NC1=O.
What is the InChIKey of (2E)-5-methyl-2-(3-phenylprop-1-enylhydrazinylidene)-1,3-thiazolidin-4-one?
The InChIKey is HHBQZHAVRFUADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-10-12(17)15-13(18-10)16-14-9-5-8-11-6-3-2-4-7-11/h2-7,9-10,14H,8H2,1H3,(H,15,16,17).
What are the key properties of (2E)-5-methyl-2-(3-phenylprop-1-enylhydrazinylidene)-1,3-thiazolidin-4-one?
(2E)-5-methyl-2-(3-phenylprop-1-enylhydrazinylidene)-1,3-thiazolidin-4-one has a molecular weight of 261.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-methyl-2-(3-phenylprop-1-enylhydrazinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135848277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).