(5Z)-2-(furan-2-ylmethylimino)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one

C15H11N3O4S — CID 137165975

IUPAC(5Z)-2-(furan-2-ylmethylimino)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\Cc2ccco2)S/C1=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11N3O4S/c19-14-13(8-10-3-5-11(6-4-10)18(20)21)23-15(17-14)16-9-12-2-1-7-22-12/h1-8H,9H2,(H,16,17,19)/b13-8-
InChIKeyFAKWYZWVEWUDFP-JYRVWZFOSA-N
MW329.34 g/mol
LogP2.95
Rot. Bonds4

About (5Z)-2-(furan-2-ylmethylimino)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-(furan-2-ylmethylimino)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 137165975) has the molecular formula C15H11N3O4S and a molecular weight of 329.34 g/mol. Its IUPAC name is (5Z)-2-(furan-2-ylmethylimino)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(furan-2-ylmethylimino)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID137165975
Molecular FormulaC15H11N3O4S
Molecular Weight329.34 g/mol
Exact Mass329.05
IUPAC Name(5Z)-2-(furan-2-ylmethylimino)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\Cc2ccco2)S/C1=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11N3O4S/c19-14-13(8-10-3-5-11(6-4-10)18(20)21)23-15(17-14)16-9-12-2-1-7-22-12/h1-8H,9H2,(H,16,17,19)/b13-8-
InChIKeyFAKWYZWVEWUDFP-JYRVWZFOSA-N
XLogP2.95
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-[[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]propanoic acid
CID 135404662
5-[(4-nitrophenyl)methylidene]-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one
CID 135416195
(2Z,5E)-5-[(4-nitrophenyl)methylidene]-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one
CID 136913826
(5Z)-2-(3-hydroxyphenyl)imino-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135935111
(5E)-2-(3-iodophenyl)imino-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137063185
2-(2,3-dichlorophenyl)imino-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135429995
(5E)-5-[(4-nitrophenyl)methylidene]-2-[(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137206884
2-(3,4-dichlorophenyl)imino-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135523330
(5E)-2-(3,4-dichlorophenyl)imino-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 136782365
5-benzylidene-2-benzylimino-1,3-thiazolidin-4-one
CID 135538834
(2E,5Z)-5-[(4-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246997
(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-(4-nitrophenyl)imino-1,3-thiazolidin-4-one
CID 137165869

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(furan-2-ylmethylimino)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(furan-2-ylmethylimino)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one (CID 137165975) is (5Z)-2-(furan-2-ylmethylimino)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(furan-2-ylmethylimino)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(furan-2-ylmethylimino)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\Cc2ccco2)S/C1=C\c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (5Z)-2-(furan-2-ylmethylimino)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is FAKWYZWVEWUDFP-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H11N3O4S/c19-14-13(8-10-3-5-11(6-4-10)18(20)21)23-15(17-14)16-9-12-2-1-7-22-12/h1-8H,9H2,(H,16,17,19)/b13-8-.
What are the key properties of (5Z)-2-(furan-2-ylmethylimino)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(furan-2-ylmethylimino)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 329.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(furan-2-ylmethylimino)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137165975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).