(2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C23H18BrN3O2S — CID 16628369

IUPAC(2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1ccccc1/C=N/N=C1\S/C(=C\c2ccc(Br)cc2)C(=O)N1Cc1ccco1
InChIInChI=1S/C23H18BrN3O2S/c1-16-5-2-3-6-18(16)14-25-26-23-27(15-20-7-4-12-29-20)22(28)21(30-23)13-17-8-10-19(24)11-9-17/h2-14H,15H2,1H3/b21-13-,25-14+,26-23-
InChIKeyOORLVVXQWAOFJK-CVILGLCYSA-N
MW480.39 g/mol
LogP5.86
Rot. Bonds5

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

(2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 16628369) has the molecular formula C23H18BrN3O2S and a molecular weight of 480.39 g/mol. Its IUPAC name is (2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID16628369
Molecular FormulaC23H18BrN3O2S
Molecular Weight480.39 g/mol
Exact Mass479.03
IUPAC Name(2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1ccccc1/C=N/N=C1\S/C(=C\c2ccc(Br)cc2)C(=O)N1Cc1ccco1
InChIInChI=1S/C23H18BrN3O2S/c1-16-5-2-3-6-18(16)14-25-26-23-27(15-20-7-4-12-29-20)22(28)21(30-23)13-17-8-10-19(24)11-9-17/h2-14H,15H2,1H3/b21-13-,25-14+,26-23-
InChIKeyOORLVVXQWAOFJK-CVILGLCYSA-N
XLogP5.86
TPSA58.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.39
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one with MolForge

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Related Compounds

(2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 16628372
(2E,5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246728
(2E,5Z)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 135773086
(2Z,5Z)-3-(furan-2-ylmethyl)-5-[(2-methylphenyl)methylidene]-2-[(E)-(4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 16628329
(2Z,5Z)-3-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)methylidene]-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 16628370
(2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246739
(2Z,5Z)-5-[(4-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135732448
(2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 19246750
(2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135772941
(2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 16628375
(2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
CID 16628453
(2Z,5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135732467

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 16628369) is (2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is Cc1ccccc1/C=N/N=C1\S/C(=C\c2ccc(Br)cc2)C(=O)N1Cc1ccco1.
What is the InChIKey of (2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is OORLVVXQWAOFJK-CVILGLCYSA-N. The full InChI is InChI=1S/C23H18BrN3O2S/c1-16-5-2-3-6-18(16)14-25-26-23-27(15-20-7-4-12-29-20)22(28)21(30-23)13-17-8-10-19(24)11-9-17/h2-14H,15H2,1H3/b21-13-,25-14+,26-23-.
What are the key properties of (2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 480.39 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 16628369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).