(2Z,5Z)-2-[(E)-(4-tert-butylphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one

C26H24N4O4S — CID 16963382

IUPAC(2Z,5Z)-2-[(E)-(4-tert-butylphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCC(C)(C)c1ccc(/C=N/N=C2\S/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C26H24N4O4S/c1-26(2,3)20-11-9-18(10-12-20)16-27-28-25-29(17-22-8-5-13-34-22)24(31)23(35-25)15-19-6-4-7-21(14-19)30(32)33/h4-16H,17H2,1-3H3/b23-15-,27-16+,28-25-
InChIKeyMFUUXVDLCVMACP-XKGYAPSCSA-N
MW488.57 g/mol
LogP5.99
Rot. Bonds6

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

(2Z,5Z)-2-[(E)-(4-tert-butylphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 16963382) has the molecular formula C26H24N4O4S and a molecular weight of 488.57 g/mol. Its IUPAC name is (2Z,5Z)-2-[(E)-(4-tert-butylphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-2-[(E)-(4-tert-butylphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID16963382
Molecular FormulaC26H24N4O4S
Molecular Weight488.57 g/mol
Exact Mass488.15
IUPAC Name(2Z,5Z)-2-[(E)-(4-tert-butylphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCC(C)(C)c1ccc(/C=N/N=C2\S/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C26H24N4O4S/c1-26(2,3)20-11-9-18(10-12-20)16-27-28-25-29(17-22-8-5-13-34-22)24(31)23(35-25)15-19-6-4-7-21(14-19)30(32)33/h4-16H,17H2,1-3H3/b23-15-,27-16+,28-25-
InChIKeyMFUUXVDLCVMACP-XKGYAPSCSA-N
XLogP5.99
TPSA101.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.57
LogP ≤ 55.99
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-[(E)-(4-tert-butylphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-2-[(E)-(4-tert-butylphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one (CID 16963382) is (2Z,5Z)-2-[(E)-(4-tert-butylphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-2-[(E)-(4-tert-butylphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-2-[(E)-(4-tert-butylphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one is CC(C)(C)c1ccc(/C=N/N=C2\S/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)N2Cc2ccco2)cc1.
What is the InChIKey of (2Z,5Z)-2-[(E)-(4-tert-butylphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is MFUUXVDLCVMACP-XKGYAPSCSA-N. The full InChI is InChI=1S/C26H24N4O4S/c1-26(2,3)20-11-9-18(10-12-20)16-27-28-25-29(17-22-8-5-13-34-22)24(31)23(35-25)15-19-6-4-7-21(14-19)30(32)33/h4-16H,17H2,1-3H3/b23-15-,27-16+,28-25-.
What are the key properties of (2Z,5Z)-2-[(E)-(4-tert-butylphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
(2Z,5Z)-2-[(E)-(4-tert-butylphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 488.57 g/mol, XLogP of 5.99, 6 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-tert-butylphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 16963382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).