(5Z)-3-phenyl-2-phenylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one

C21H15N3OS — CID 25150686

IUPAC(5Z)-3-phenyl-2-phenylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccncc2)S/C(=N\c2ccccc2)N1c1ccccc1
InChIInChI=1S/C21H15N3OS/c25-20-19(15-16-11-13-22-14-12-16)26-21(23-17-7-3-1-4-8-17)24(20)18-9-5-2-6-10-18/h1-15H/b19-15-,23-21-
InChIKeyRTGGPWNKWRVMGB-GWPSIESESA-N
MW357.44 g/mol
LogP4.89
Rot. Bonds3

About (5Z)-3-phenyl-2-phenylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one

(5Z)-3-phenyl-2-phenylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 25150686) has the molecular formula C21H15N3OS and a molecular weight of 357.44 g/mol. Its IUPAC name is (5Z)-3-phenyl-2-phenylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-phenyl-2-phenylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID25150686
Molecular FormulaC21H15N3OS
Molecular Weight357.44 g/mol
Exact Mass357.09
IUPAC Name(5Z)-3-phenyl-2-phenylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccncc2)S/C(=N\c2ccccc2)N1c1ccccc1
InChIInChI=1S/C21H15N3OS/c25-20-19(15-16-11-13-22-14-12-16)26-21(23-17-7-3-1-4-8-17)24(20)18-9-5-2-6-10-18/h1-15H/b19-15-,23-21-
InChIKeyRTGGPWNKWRVMGB-GWPSIESESA-N
XLogP4.89
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(Z)-3-phenethyl-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-one
CID 2241090
3-Phenyl-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2731886
(7Z)-3-(3-methylphenyl)-7-(pyridin-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 1806528
(2E,5Z)-5-((1-methyl-1H-pyrrol-2-yl)methylene)-2-(p-tolylimino)thiazolidin-4-one
CID 135444306
(5Z)-2-(2-methylanilino)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazol-4-one
CID 135535982
(5Z)-2-(4-ethylphenyl)imino-3-(2-methoxyethyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 134145284
(Z)-2-(piperidin-1-yl)-5-(pyridin-4-ylmethylene)thiazol-4(5H)-one
CID 725712
3-Benzyl-5-(4-pyridylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 1940966
3-(2-Phenylethyl)-5-(2-pyridylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 2047913
1-benzyl-2-(methylthio)-4-(3-pyridylmethylidene)-4,5-dihydro-1H-imidazol-5-one
CID 6364736
2-(Phenylimino)-5-(3-pyridinylmethylene)-1,3-thiazolidin-4-one
CID 135460418
(2E,5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-2-(pyridin-3-ylimino)-1,3-thiazolidin-4-one
CID 135493319

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-phenyl-2-phenylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-phenyl-2-phenylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one (CID 25150686) is (5Z)-3-phenyl-2-phenylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-phenyl-2-phenylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-phenyl-2-phenylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccncc2)S/C(=N\c2ccccc2)N1c1ccccc1.
What is the InChIKey of (5Z)-3-phenyl-2-phenylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is RTGGPWNKWRVMGB-GWPSIESESA-N. The full InChI is InChI=1S/C21H15N3OS/c25-20-19(15-16-11-13-22-14-12-16)26-21(23-17-7-3-1-4-8-17)24(20)18-9-5-2-6-10-18/h1-15H/b19-15-,23-21-.
What are the key properties of (5Z)-3-phenyl-2-phenylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-3-phenyl-2-phenylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 357.44 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-phenyl-2-phenylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 25150686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).