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

C25H24N4O3S — CID 16628752

IUPAC(2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccccc1/C=C1\S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccco2)C1=O
InChIInChI=1S/C25H24N4O3S/c1-28(2)20-12-10-18(11-13-20)16-26-27-25-29(17-21-8-6-14-32-21)24(30)23(33-25)15-19-7-4-5-9-22(19)31-3/h4-16H,17H2,1-3H3/b23-15-,26-16+,27-25-
InChIKeyDEXVCRVXLIZJOX-HXWXGCPYSA-N
MW460.56 g/mol
LogP4.86
Rot. Bonds7

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

(2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 16628752) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is (2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID16628752
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC Name(2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccccc1/C=C1\S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccco2)C1=O
InChIInChI=1S/C25H24N4O3S/c1-28(2)20-12-10-18(11-13-20)16-26-27-25-29(17-21-8-6-14-32-21)24(30)23(33-25)15-19-7-4-5-9-22(19)31-3/h4-16H,17H2,1-3H3/b23-15-,26-16+,27-25-
InChIKeyDEXVCRVXLIZJOX-HXWXGCPYSA-N
XLogP4.86
TPSA70.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

(2Z,5Z)-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-2-[(E)-(4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 16628326
(2Z,5Z)-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 16628370
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
(2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 16627819
N-(4-chlorophenyl)-2-[2-[(Z)-[(2Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
CID 16628764
(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246595
(2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135772860
(2E,5Z)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(2-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 19245957
(2Z,5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 16963431
(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
(2E,5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19245980
(2Z,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 16627857

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 16628752) is (2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is COc1ccccc1/C=C1\S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccco2)C1=O.
What is the InChIKey of (2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is DEXVCRVXLIZJOX-HXWXGCPYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-28(2)20-12-10-18(11-13-20)16-26-27-25-29(17-21-8-6-14-32-21)24(30)23(33-25)15-19-7-4-5-9-22(19)31-3/h4-16H,17H2,1-3H3/b23-15-,26-16+,27-25-.
What are the key properties of (2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 460.56 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 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-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 16628752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).