(5E)-2-(2-pyridin-4-ylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one

C24H16N4OS — CID 135428832

IUPAC(5E)-2-(2-pyridin-4-ylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccccc2-c2ccncc2)S/C1=C/c1ccc2ncccc2c1
InChIInChI=1S/C24H16N4OS/c29-23-22(15-16-7-8-20-18(14-16)4-3-11-26-20)30-24(28-23)27-21-6-2-1-5-19(21)17-9-12-25-13-10-17/h1-15H,(H,27,28,29)/b22-15+
InChIKeyPVYXBDGLAKITGO-PXLXIMEGSA-N
MW408.49 g/mol
LogP5.19
Rot. Bonds3

About (5E)-2-(2-pyridin-4-ylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one

(5E)-2-(2-pyridin-4-ylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135428832) has the molecular formula C24H16N4OS and a molecular weight of 408.49 g/mol. Its IUPAC name is (5E)-2-(2-pyridin-4-ylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(2-pyridin-4-ylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135428832
Molecular FormulaC24H16N4OS
Molecular Weight408.49 g/mol
Exact Mass408.10
IUPAC Name(5E)-2-(2-pyridin-4-ylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccccc2-c2ccncc2)S/C1=C/c1ccc2ncccc2c1
InChIInChI=1S/C24H16N4OS/c29-23-22(15-16-7-8-20-18(14-16)4-3-11-26-20)30-24(28-23)27-21-6-2-1-5-19(21)17-9-12-25-13-10-17/h1-15H,(H,27,28,29)/b22-15+
InChIKeyPVYXBDGLAKITGO-PXLXIMEGSA-N
XLogP5.19
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.49
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-2-(2-methylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 135745036
2-[(2-chloro-3-pyridinyl)imino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136659589
(5E)-5-(quinolin-6-ylmethylidene)-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135745011
(5E)-2-(2,3-dimethylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 135745009
2-[(3,5-dichloro-4-pyridinyl)imino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136649408
2-(1H-pyrazol-5-ylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136624407
2-[2-chloro-5-(hydroxymethyl)phenyl]imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136650741
N-[3-chloro-4-[[4-oxo-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-ylidene]amino]phenyl]benzamide
CID 136654761
(5Z)-5-(quinolin-6-ylmethylidene)-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-4-one
CID 135400873
(NZ)-2-chloro-N-[(5E)-4-oxo-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 135430169
4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-[[(5E)-4-oxo-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-ylidene]amino]benzamide
CID 135428902
2-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136654984

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(2-pyridin-4-ylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(2-pyridin-4-ylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (CID 135428832) is (5E)-2-(2-pyridin-4-ylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(2-pyridin-4-ylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(2-pyridin-4-ylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is O=C1N/C(=N/c2ccccc2-c2ccncc2)S/C1=C/c1ccc2ncccc2c1.
What is the InChIKey of (5E)-2-(2-pyridin-4-ylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is PVYXBDGLAKITGO-PXLXIMEGSA-N. The full InChI is InChI=1S/C24H16N4OS/c29-23-22(15-16-7-8-20-18(14-16)4-3-11-26-20)30-24(28-23)27-21-6-2-1-5-19(21)17-9-12-25-13-10-17/h1-15H,(H,27,28,29)/b22-15+.
What are the key properties of (5E)-2-(2-pyridin-4-ylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
(5E)-2-(2-pyridin-4-ylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 408.49 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(2-pyridin-4-ylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135428832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).