(2E,5Z)-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C21H15N5O4S — CID 19246134

IUPAC(2E,5Z)-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2cccc([N+](=O)[O-])c2)S/C(=N/N=C\c2cccnc2)N1Cc1ccco1
InChIInChI=1S/C21H15N5O4S/c27-20-19(11-15-4-1-6-17(10-15)26(28)29)31-21(25(20)14-18-7-3-9-30-18)24-23-13-16-5-2-8-22-12-16/h1-13H,14H2/b19-11-,23-13-,24-21+
InChIKeyVWPQISBEEWYVRF-QCUMUHRLSA-N
MW433.45 g/mol
LogP4.09
Rot. Bonds6

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

(2E,5Z)-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 19246134) has the molecular formula C21H15N5O4S and a molecular weight of 433.45 g/mol. Its IUPAC name is (2E,5Z)-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID19246134
Molecular FormulaC21H15N5O4S
Molecular Weight433.45 g/mol
Exact Mass433.08
IUPAC Name(2E,5Z)-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2cccc([N+](=O)[O-])c2)S/C(=N/N=C\c2cccnc2)N1Cc1ccco1
InChIInChI=1S/C21H15N5O4S/c27-20-19(11-15-4-1-6-17(10-15)26(28)29)31-21(25(20)14-18-7-3-9-30-18)24-23-13-16-5-2-8-22-12-16/h1-13H,14H2/b19-11-,23-13-,24-21+
InChIKeyVWPQISBEEWYVRF-QCUMUHRLSA-N
XLogP4.09
TPSA114.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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Related Compounds

(2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135996178
(2E,5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246108
(2Z,5Z)-2-[(E)-(4-tert-butylphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 16963382
(2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 19246750
(2E,5Z)-5-[(4-tert-butylphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246950
(2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 16628572
(2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 19246958
(2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 16963390
(2Z,5Z)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 16627475
(2E,5Z)-2-[(Z)-(3-bromophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 19246663
(2E,5Z)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 19245939
(2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-(3-phenylmethoxyphenyl)methylidenehydrazinylidene]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 19246423

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 19246134) is (2E,5Z)-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1/C(=C/c2cccc([N+](=O)[O-])c2)S/C(=N/N=C\c2cccnc2)N1Cc1ccco1.
What is the InChIKey of (2E,5Z)-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is VWPQISBEEWYVRF-QCUMUHRLSA-N. The full InChI is InChI=1S/C21H15N5O4S/c27-20-19(11-15-4-1-6-17(10-15)26(28)29)31-21(25(20)14-18-7-3-9-30-18)24-23-13-16-5-2-8-22-12-16/h1-13H,14H2/b19-11-,23-13-,24-21+.
What are the key properties of (2E,5Z)-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E,5Z)-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 433.45 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 19246134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).