(5Z)-5-benzylidene-4-(4-nitrophenyl)imino-1,3-thiazolidin-2-one

C16H11N3O3S — CID 135711695

IUPAC(5Z)-5-benzylidene-4-(4-nitrophenyl)imino-1,3-thiazolidin-2-one
SMILESO=C1NC(=N\c2ccc([N+](=O)[O-])cc2)/C(=C/c2ccccc2)S1
InChIInChI=1S/C16H11N3O3S/c20-16-18-15(14(23-16)10-11-4-2-1-3-5-11)17-12-6-8-13(9-7-12)19(21)22/h1-10H,(H,17,18,20)/b14-10-
InChIKeyNEYWMAPQPFASIP-UVTDQMKNSA-N
MW325.35 g/mol
LogP4.12
Rot. Bonds3

About (5Z)-5-benzylidene-4-(4-nitrophenyl)imino-1,3-thiazolidin-2-one

(5Z)-5-benzylidene-4-(4-nitrophenyl)imino-1,3-thiazolidin-2-one (PubChem CID 135711695) has the molecular formula C16H11N3O3S and a molecular weight of 325.35 g/mol. Its IUPAC name is (5Z)-5-benzylidene-4-(4-nitrophenyl)imino-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-4-(4-nitrophenyl)imino-1,3-thiazolidin-2-one
PubChem CID135711695
Molecular FormulaC16H11N3O3S
Molecular Weight325.35 g/mol
Exact Mass325.05
IUPAC Name(5Z)-5-benzylidene-4-(4-nitrophenyl)imino-1,3-thiazolidin-2-one
SMILESO=C1NC(=N\c2ccc([N+](=O)[O-])cc2)/C(=C/c2ccccc2)S1
InChIInChI=1S/C16H11N3O3S/c20-16-18-15(14(23-16)10-11-4-2-1-3-5-11)17-12-6-8-13(9-7-12)19(21)22/h1-10H,(H,17,18,20)/b14-10-
InChIKeyNEYWMAPQPFASIP-UVTDQMKNSA-N
XLogP4.12
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(2E,5E)-2-[(4-fluorophenyl)imino]-5-(4-nitrobenzylidene)-1,3-thiazolidin-4-one
CID 135426138
(4E,5Z)-4-[(4-Methylphenyl)imino]-5-(phenylmethylidene)-1,3-thiazolidin-2-one
CID 135720038
(5E)-5-[(3-nitrophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135512885
2-[(4-fluorophenyl)amino]-5-(2-nitrobenzylidene)-1,3-thiazol-4(5H)-one
CID 135426173
(Z)-2-((4-fluorophenyl)amino)-5-(4-nitrobenzylidene)thiazol-4(5H)-one
CID 135498614
(5Z)-2-(4-nitrophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 136224042
(5Z)-5-benzylidene-2-(2-nitrophenyl)imino-1,3-thiazolidin-4-one
CID 136228185
(5Z)-5-benzylidene-2-(4-nitrophenyl)imino-1,3-thiazolidin-4-one
CID 136241491
(5Z)-2-(4-nitrophenyl)imino-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 136264507
5-Benzylidene-2-(4-nitroanilino)-1,3-thiazol-4(5H)-one
CID 135563927
2-(2-Nitrophenylimino)-5-benzylidene-4-thiazolidinone
CID 135563940
2-(4-Nitrophenylimino)-5-(2-nitrobenzylidene)-4-thiazolidinone
CID 135564001

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-4-(4-nitrophenyl)imino-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-5-benzylidene-4-(4-nitrophenyl)imino-1,3-thiazolidin-2-one (CID 135711695) is (5Z)-5-benzylidene-4-(4-nitrophenyl)imino-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-5-benzylidene-4-(4-nitrophenyl)imino-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-5-benzylidene-4-(4-nitrophenyl)imino-1,3-thiazolidin-2-one is O=C1NC(=N\c2ccc([N+](=O)[O-])cc2)/C(=C/c2ccccc2)S1.
What is the InChIKey of (5Z)-5-benzylidene-4-(4-nitrophenyl)imino-1,3-thiazolidin-2-one?
The InChIKey is NEYWMAPQPFASIP-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H11N3O3S/c20-16-18-15(14(23-16)10-11-4-2-1-3-5-11)17-12-6-8-13(9-7-12)19(21)22/h1-10H,(H,17,18,20)/b14-10-.
What are the key properties of (5Z)-5-benzylidene-4-(4-nitrophenyl)imino-1,3-thiazolidin-2-one?
(5Z)-5-benzylidene-4-(4-nitrophenyl)imino-1,3-thiazolidin-2-one has a molecular weight of 325.35 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-4-(4-nitrophenyl)imino-1,3-thiazolidin-2-one is sourced from PubChem (CID 135711695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).