(2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one

C27H26N4O2S — CID 16628758

IUPAC(2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
SMILESCC(/C=C1\S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccco2)C1=O)=C\c1ccccc1
InChIInChI=1S/C27H26N4O2S/c1-20(16-21-8-5-4-6-9-21)17-25-26(32)31(19-24-10-7-15-33-24)27(34-25)29-28-18-22-11-13-23(14-12-22)30(2)3/h4-18H,19H2,1-3H3/b20-16+,25-17-,28-18+,29-27-
InChIKeyLZEWBCKDPHJBMJ-QUJAOYQXSA-N
MW470.60 g/mol
LogP5.80
Rot. Bonds7

About (2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one

(2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (PubChem CID 16628758) has the molecular formula C27H26N4O2S and a molecular weight of 470.60 g/mol. Its IUPAC name is (2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
PubChem CID16628758
Molecular FormulaC27H26N4O2S
Molecular Weight470.60 g/mol
Exact Mass470.18
IUPAC Name(2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
SMILESCC(/C=C1\S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccco2)C1=O)=C\c1ccccc1
InChIInChI=1S/C27H26N4O2S/c1-20(16-21-8-5-4-6-9-21)17-25-26(32)31(19-24-10-7-15-33-24)27(34-25)29-28-18-22-11-13-23(14-12-22)30(2)3/h4-18H,19H2,1-3H3/b20-16+,25-17-,28-18+,29-27-
InChIKeyLZEWBCKDPHJBMJ-QUJAOYQXSA-N
XLogP5.80
TPSA61.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.60
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one with MolForge

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Related Compounds

(2Z,5Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 16627600
(2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 16627819
(2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 16628752
(2Z,5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 16963431
(2E,5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246271
(2Z,5Z)-3-(furan-2-ylmethyl)-5-[(2-methylphenyl)methylidene]-2-[(E)-(4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 16628329
(2E,5Z)-5-[(2-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
CID 19246881
(2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135732315
2-[2-[(Z)-[(2Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 16628765
(2E,5Z)-2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 135773144
(2E,5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-[(Z)-(4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246684
(2E,5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19245980

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (CID 16628758) is (2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one is CC(/C=C1\S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccco2)C1=O)=C\c1ccccc1.
What is the InChIKey of (2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The InChIKey is LZEWBCKDPHJBMJ-QUJAOYQXSA-N. The full InChI is InChI=1S/C27H26N4O2S/c1-20(16-21-8-5-4-6-9-21)17-25-26(32)31(19-24-10-7-15-33-24)27(34-25)29-28-18-22-11-13-23(14-12-22)30(2)3/h4-18H,19H2,1-3H3/b20-16+,25-17-,28-18+,29-27-.
What are the key properties of (2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
(2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one has a molecular weight of 470.60 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 16628758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).