2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methoxyphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one

C22H19N3O3S — CID 3106377

IUPAC2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methoxyphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(CC2SC(=NN=Cc3ccco3)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C22H19N3O3S/c1-27-18-11-9-16(10-12-18)14-20-21(26)25(17-6-3-2-4-7-17)22(29-20)24-23-15-19-8-5-13-28-19/h2-13,15,20H,14H2,1H3
InChIKeyDMRLKRJDAJNMDH-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.37
Rot. Bonds6

About 2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methoxyphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one

2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methoxyphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 3106377) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methoxyphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methoxyphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one
PubChem CID3106377
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methoxyphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(CC2SC(=NN=Cc3ccco3)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C22H19N3O3S/c1-27-18-11-9-16(10-12-18)14-20-21(26)25(17-6-3-2-4-7-17)22(29-20)24-23-15-19-8-5-13-28-19/h2-13,15,20H,14H2,1H3
InChIKeyDMRLKRJDAJNMDH-UHFFFAOYSA-N
XLogP4.37
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.37
H-Bond Donors ≤ 50
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

(2Z,5R)-2-[(Z)-benzylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one
CID 7329424
(2Z,5S)-5-ethyl-3-(4-fluorophenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 40963377
(2E,5S)-5-ethyl-3-(4-fluorophenyl)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 40785238
2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 2855983
(2Z,5R)-3-benzyl-5-[(4-fluorophenyl)methyl]-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 40972053
2-[3-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 3390739
2-[(2Z,5S)-3-(4-hydroxyphenyl)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 6347839
2-[(2E,5R)-3-(4-hydroxyphenyl)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 6860125
2-[(2Z,5S)-3-(4-hydroxyphenyl)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 7499751
(2E)-5-benzyl-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 5341047
(2Z,5R)-5-[(4-methoxyphenyl)methyl]-3-prop-2-enyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 40512977
(2E)-5-[(4-methoxyphenyl)methyl]-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135712180

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methoxyphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methoxyphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one (CID 3106377) is 2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methoxyphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methoxyphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methoxyphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one is COc1ccc(CC2SC(=NN=Cc3ccco3)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of 2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methoxyphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is DMRLKRJDAJNMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-27-18-11-9-16(10-12-18)14-20-21(26)25(17-6-3-2-4-7-17)22(29-20)24-23-15-19-8-5-13-28-19/h2-13,15,20H,14H2,1H3.
What are the key properties of 2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methoxyphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one?
2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methoxyphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 405.48 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methoxyphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3106377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).