(2Z,5S)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one

C18H19N3O4S — CID 40963379

IUPAC(2Z,5S)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=N/N=C2\S[C@@H](C)C(=O)N2Cc2ccco2)c(OC)c1
InChIInChI=1S/C18H19N3O4S/c1-12-17(22)21(11-15-5-4-8-25-15)18(26-12)20-19-10-13-6-7-14(23-2)9-16(13)24-3/h4-10,12H,11H2,1-3H3/b19-10+,20-18-/t12-/m0/s1
InChIKeyCZYKRHNTVYQSHZ-WXYCPXKWSA-N
MW373.43 g/mol
LogP3.15
Rot. Bonds6

About (2Z,5S)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one

(2Z,5S)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one (PubChem CID 40963379) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is (2Z,5S)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5S)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one
PubChem CID40963379
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name(2Z,5S)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=N/N=C2\S[C@@H](C)C(=O)N2Cc2ccco2)c(OC)c1
InChIInChI=1S/C18H19N3O4S/c1-12-17(22)21(11-15-5-4-8-25-15)18(26-12)20-19-10-13-6-7-14(23-2)9-16(13)24-3/h4-10,12H,11H2,1-3H3/b19-10+,20-18-/t12-/m0/s1
InChIKeyCZYKRHNTVYQSHZ-WXYCPXKWSA-N
XLogP3.15
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one
CID 40963378
2-[(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-ethyl-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 5106612
(2Z,5S)-2-[(Z)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 7403905
(2Z,5R)-3-benzyl-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 7404039
2-[(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-5-propyl-1,3-thiazolidin-4-one
CID 3699869
(2E,5S)-5-butyl-2-[(Z)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 41020629
2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 5165972
(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246595
2-[(4-butoxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 3466817
(2Z,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 7431599
2-[(4-bromophenyl)methylidenehydrazinylidene]-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-thiazolidin-4-one
CID 3608730
(2Z)-3-[(4-fluorophenyl)methyl]-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 46861400

Frequently Asked Questions

What is the IUPAC name of (2Z,5S)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5S)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one (CID 40963379) is (2Z,5S)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5S)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5S)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one is COc1ccc(/C=N/N=C2\S[C@@H](C)C(=O)N2Cc2ccco2)c(OC)c1.
What is the InChIKey of (2Z,5S)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is CZYKRHNTVYQSHZ-WXYCPXKWSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-12-17(22)21(11-15-5-4-8-25-15)18(26-12)20-19-10-13-6-7-14(23-2)9-16(13)24-3/h4-10,12H,11H2,1-3H3/b19-10+,20-18-/t12-/m0/s1.
What are the key properties of (2Z,5S)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one?
(2Z,5S)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 373.43 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5S)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 40963379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).