(2E)-2-(cinnamylidenehydrazinylidene)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one

C24H23N3O2S — CID 135763240

IUPAC(2E)-2-(cinnamylidenehydrazinylidene)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one
SMILESO=C(CC1S/C(=N/N=CC=Cc2ccccc2)NC1=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C24H23N3O2S/c28-21(20-13-12-18-10-4-5-11-19(18)15-20)16-22-23(29)26-24(30-22)27-25-14-6-9-17-7-2-1-3-8-17/h1-3,6-9,12-15,22H,4-5,10-11,16H2,(H,26,27,29)
InChIKeyUMUATOUXXLBDFU-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.43
Rot. Bonds6

About (2E)-2-(cinnamylidenehydrazinylidene)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one

(2E)-2-(cinnamylidenehydrazinylidene)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one (PubChem CID 135763240) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is (2E)-2-(cinnamylidenehydrazinylidene)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-(cinnamylidenehydrazinylidene)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one
PubChem CID135763240
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC Name(2E)-2-(cinnamylidenehydrazinylidene)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one
SMILESO=C(CC1S/C(=N/N=CC=Cc2ccccc2)NC1=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C24H23N3O2S/c28-21(20-13-12-18-10-4-5-11-19(18)15-20)16-22-23(29)26-24(30-22)27-25-14-6-9-17-7-2-1-3-8-17/h1-3,6-9,12-15,22H,4-5,10-11,16H2,(H,26,27,29)
InChIKeyUMUATOUXXLBDFU-UHFFFAOYSA-N
XLogP4.43
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_B(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
CID 135942077
(2E)-5-phenacyl-2-[(Z)-[(Z)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
CID 135754176
(2E)-2-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one
CID 135757285
(2E)-5-[2-(4-bromophenyl)-2-oxoethyl]-2-(cinnamylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135626186
(2Z,5R)-5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
CID 136694759
(2Z)-5-[2-(4-methoxyphenyl)-2-oxoethyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
CID 135616469
2-[(2Z,5R)-4-oxo-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetate
CID 135744312
2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one
CID 172945087
2-[(2E,5R)-4-oxo-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 136829914
2-[[2-[2-(cinnamylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]acetic acid
CID 135435276
3-[[2-[(2E)-2-(cinnamylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]propanoic acid
CID 135759941
(2Z)-2-[(E)-benzylidenehydrazinylidene]-5-[2-(3,4-dimethylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 135757222

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(cinnamylidenehydrazinylidene)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-(cinnamylidenehydrazinylidene)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one (CID 135763240) is (2E)-2-(cinnamylidenehydrazinylidene)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-(cinnamylidenehydrazinylidene)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-(cinnamylidenehydrazinylidene)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one is O=C(CC1S/C(=N/N=CC=Cc2ccccc2)NC1=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of (2E)-2-(cinnamylidenehydrazinylidene)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one?
The InChIKey is UMUATOUXXLBDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c28-21(20-13-12-18-10-4-5-11-19(18)15-20)16-22-23(29)26-24(30-22)27-25-14-6-9-17-7-2-1-3-8-17/h1-3,6-9,12-15,22H,4-5,10-11,16H2,(H,26,27,29).
What are the key properties of (2E)-2-(cinnamylidenehydrazinylidene)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one?
(2E)-2-(cinnamylidenehydrazinylidene)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one has a molecular weight of 417.53 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(cinnamylidenehydrazinylidene)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135763240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).