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

C20H19N3O3S — CID 172945087

IUPAC2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one
SMILESO=C(CC1SC(=N/N=C/c2ccco2)NC1=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H19N3O3S/c24-17(15-8-7-13-4-1-2-5-14(13)10-15)11-18-19(25)22-20(27-18)23-21-12-16-6-3-9-26-16/h3,6-10,12,18H,1-2,4-5,11H2,(H,22,23,25)/b21-12+
InChIKeyACVOJCDZLNHLEV-CIAFOILYSA-N
MW381.46 g/mol
LogP3.35
Rot. Bonds5

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

2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one (PubChem CID 172945087) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one
PubChem CID172945087
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one
SMILESO=C(CC1SC(=N/N=C/c2ccco2)NC1=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H19N3O3S/c24-17(15-8-7-13-4-1-2-5-14(13)10-15)11-18-19(25)22-20(27-18)23-21-12-16-6-3-9-26-16/h3,6-10,12,18H,1-2,4-5,11H2,(H,22,23,25)/b21-12+
InChIKeyACVOJCDZLNHLEV-CIAFOILYSA-N
XLogP3.35
TPSA84.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 135706911
(2E)-2-(cinnamylidenehydrazinylidene)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one
CID 135763240
(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)-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
(2Z)-5-[2-(2,5-dimethylphenyl)-2-oxoethyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135757194
(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-(2-hydroxyethyl)-1,3-thiazolidin-4-one
CID 135815216
N-(4-chlorophenyl)-2-[(2Z,5S)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 136877634
N-(4-bromophenyl)-2-[(2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135897948
N-(4-chlorophenyl)-2-[(2E)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135707046
(5R)-2-(furan-2-ylmethylidenehydrazinylidene)-5-propyl-1,3-thiazolidin-4-one
CID 137195334
(2S)-2-[[2-[(2E,5R)-2-(furan-2-ylmethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]propanoic acid
CID 135816842
(2E)-2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135798981

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one (CID 172945087) is 2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one is O=C(CC1SC(=N/N=C/c2ccco2)NC1=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one?
The InChIKey is ACVOJCDZLNHLEV-CIAFOILYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c24-17(15-8-7-13-4-1-2-5-14(13)10-15)11-18-19(25)22-20(27-18)23-21-12-16-6-3-9-26-16/h3,6-10,12,18H,1-2,4-5,11H2,(H,22,23,25)/b21-12+.
What are the key properties of 2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one?
2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one has a molecular weight of 381.46 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 172945087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).