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

C24H21ClN4O2S — CID 16627819

IUPAC(2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(/C=C2\S/C(=N\N=C\c3ccc(Cl)cc3)N(Cc3ccco3)C2=O)cc1
InChIInChI=1S/C24H21ClN4O2S/c1-28(2)20-11-7-17(8-12-20)14-22-23(30)29(16-21-4-3-13-31-21)24(32-22)27-26-15-18-5-9-19(25)10-6-18/h3-15H,16H2,1-2H3/b22-14-,26-15+,27-24-
InChIKeyQVDPUKSWEUREIT-FLDCNDQUSA-N
MW464.98 g/mol
LogP5.51
Rot. Bonds6

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

(2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 16627819) has the molecular formula C24H21ClN4O2S and a molecular weight of 464.98 g/mol. Its IUPAC name is (2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID16627819
Molecular FormulaC24H21ClN4O2S
Molecular Weight464.98 g/mol
Exact Mass464.11
IUPAC Name(2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(/C=C2\S/C(=N\N=C\c3ccc(Cl)cc3)N(Cc3ccco3)C2=O)cc1
InChIInChI=1S/C24H21ClN4O2S/c1-28(2)20-11-7-17(8-12-20)14-22-23(30)29(16-21-4-3-13-31-21)24(32-22)27-26-15-18-5-9-19(25)10-6-18/h3-15H,16H2,1-2H3/b22-14-,26-15+,27-24-
InChIKeyQVDPUKSWEUREIT-FLDCNDQUSA-N
XLogP5.51
TPSA61.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.98
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'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)-5-[(4-chlorophenyl)methylidene]-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 16627796
(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
(2E,5Z)-5-[(4-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246996
(2Z,5Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 16628752
(2E,5Z)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 19246162
(2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 16627798
(2E,5Z)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 19246155
(2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135732315
(2Z,5Z)-5-[(4-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135732448
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)-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-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (CID 16627819) is (2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is CN(C)c1ccc(/C=C2\S/C(=N\N=C\c3ccc(Cl)cc3)N(Cc3ccco3)C2=O)cc1.
What is the InChIKey of (2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is QVDPUKSWEUREIT-FLDCNDQUSA-N. The full InChI is InChI=1S/C24H21ClN4O2S/c1-28(2)20-11-7-17(8-12-20)14-22-23(30)29(16-21-4-3-13-31-21)24(32-22)27-26-15-18-5-9-19(25)10-6-18/h3-15H,16H2,1-2H3/b22-14-,26-15+,27-24-.
What are the key properties of (2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
(2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 464.98 g/mol, XLogP of 5.51, 6 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-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 16627819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).