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

C23H18N4O5S — CID 16963390

IUPAC(2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccccc1/C=N/N=C1\S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccco1
InChIInChI=1S/C23H18N4O5S/c1-31-20-10-3-2-7-17(20)14-24-25-23-26(15-19-9-5-11-32-19)22(28)21(33-23)13-16-6-4-8-18(12-16)27(29)30/h2-14H,15H2,1H3/b21-13-,24-14+,25-23-
InChIKeyBIAUMJDTHYPYLD-PZXIRNCYSA-N
MW462.49 g/mol
LogP4.70
Rot. Bonds7

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

(2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 16963390) has the molecular formula C23H18N4O5S and a molecular weight of 462.49 g/mol. Its IUPAC name is (2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID16963390
Molecular FormulaC23H18N4O5S
Molecular Weight462.49 g/mol
Exact Mass462.10
IUPAC Name(2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccccc1/C=N/N=C1\S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccco1
InChIInChI=1S/C23H18N4O5S/c1-31-20-10-3-2-7-17(20)14-24-25-23-26(15-19-9-5-11-32-19)22(28)21(33-23)13-16-6-4-8-18(12-16)27(29)30/h2-14H,15H2,1H3/b21-13-,24-14+,25-23-
InChIKeyBIAUMJDTHYPYLD-PZXIRNCYSA-N
XLogP4.70
TPSA110.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 54.70
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

(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-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246595
(2Z,5Z)-2-[(E)-(4-tert-butylphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 16963382
(2Z,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 16963420
(2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135996178
(2E,5Z)-3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methylidene]-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246134
(2E,5Z)-5-[(4-tert-butylphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246950
(2E,5Z)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 19245959
(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)-(3-nitrophenyl)methylidenehydrazinylidene]-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 16628572
(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)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 19246978

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one (CID 16963390) is (2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one is COc1ccccc1/C=N/N=C1\S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccco1.
What is the InChIKey of (2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is BIAUMJDTHYPYLD-PZXIRNCYSA-N. The full InChI is InChI=1S/C23H18N4O5S/c1-31-20-10-3-2-7-17(20)14-24-25-23-26(15-19-9-5-11-32-19)22(28)21(33-23)13-16-6-4-8-18(12-16)27(29)30/h2-14H,15H2,1H3/b21-13-,24-14+,25-23-.
What are the key properties of (2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
(2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 462.49 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 16963390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).