(2E,5Z)-3-methyl-5-[(2-nitrophenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

C16H12N4O3S — CID 18841792

IUPAC(2E,5Z)-3-methyl-5-[(2-nitrophenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])S/C1=N/c1ccccn1
InChIInChI=1S/C16H12N4O3S/c1-19-15(21)13(10-11-6-2-3-7-12(11)20(22)23)24-16(19)18-14-8-4-5-9-17-14/h2-10H,1H3/b13-10-,18-16+
InChIKeyKNIBWDUMUYGYMX-GCRZPWQESA-N
MW340.36 g/mol
LogP3.22
Rot. Bonds3

About (2E,5Z)-3-methyl-5-[(2-nitrophenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

(2E,5Z)-3-methyl-5-[(2-nitrophenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 18841792) has the molecular formula C16H12N4O3S and a molecular weight of 340.36 g/mol. Its IUPAC name is (2E,5Z)-3-methyl-5-[(2-nitrophenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-3-methyl-5-[(2-nitrophenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
PubChem CID18841792
Molecular FormulaC16H12N4O3S
Molecular Weight340.36 g/mol
Exact Mass340.06
IUPAC Name(2E,5Z)-3-methyl-5-[(2-nitrophenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])S/C1=N/c1ccccn1
InChIInChI=1S/C16H12N4O3S/c1-19-15(21)13(10-11-6-2-3-7-12(11)20(22)23)24-16(19)18-14-8-4-5-9-17-14/h2-10H,1H3/b13-10-,18-16+
InChIKeyKNIBWDUMUYGYMX-GCRZPWQESA-N
XLogP3.22
TPSA88.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.22
H-Bond Donors ≤ 50
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

(2E,5Z)-3-methyl-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841798
(2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841775
(2E,5Z)-3-methyl-5-[(1-methylindol-3-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841758
(2E,5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841735
4-[(Z)-[(2E)-3-methyl-4-oxo-2-pyridin-2-ylimino-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 18841767
(2E,5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841781
(2E,5Z)-5-[(2-fluorophenyl)methylidene]-3-methyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 18842695
(2E,5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841902
(2E,5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841730
(2E,5Z)-3-methyl-5-[(2-methylphenyl)methylidene]-2-[(4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18844682
(2E,5Z)-3-cyclohexyl-5-[(2-methylphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18842436
(2E,5Z)-5-[(2-methoxyphenyl)methylidene]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844194

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-3-methyl-5-[(2-nitrophenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-3-methyl-5-[(2-nitrophenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (CID 18841792) is (2E,5Z)-3-methyl-5-[(2-nitrophenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-3-methyl-5-[(2-nitrophenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-3-methyl-5-[(2-nitrophenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is CN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])S/C1=N/c1ccccn1.
What is the InChIKey of (2E,5Z)-3-methyl-5-[(2-nitrophenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is KNIBWDUMUYGYMX-GCRZPWQESA-N. The full InChI is InChI=1S/C16H12N4O3S/c1-19-15(21)13(10-11-6-2-3-7-12(11)20(22)23)24-16(19)18-14-8-4-5-9-17-14/h2-10H,1H3/b13-10-,18-16+.
What are the key properties of (2E,5Z)-3-methyl-5-[(2-nitrophenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
(2E,5Z)-3-methyl-5-[(2-nitrophenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 340.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-3-methyl-5-[(2-nitrophenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 18841792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).