3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione

C15H10N2O2S — CID 1350695

IUPAC3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1SC(=Cc2cccnc2)C(=O)N1c1ccccc1
InChIInChI=1S/C15H10N2O2S/c18-14-13(9-11-5-4-8-16-10-11)20-15(19)17(14)12-6-2-1-3-7-12/h1-10H
InChIKeyHILIEQJLDPHDQW-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.32
Rot. Bonds2

About 3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione

3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 1350695) has the molecular formula C15H10N2O2S and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID1350695
Molecular FormulaC15H10N2O2S
Molecular Weight282.32 g/mol
Exact Mass282.05
IUPAC Name3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1SC(=Cc2cccnc2)C(=O)N1c1ccccc1
InChIInChI=1S/C15H10N2O2S/c18-14-13(9-11-5-4-8-16-10-11)20-15(19)17(14)12-6-2-1-3-7-12/h1-10H
InChIKeyHILIEQJLDPHDQW-UHFFFAOYSA-N
XLogP3.32
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-pyridin-3-yl-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3334762
(5Z)-3-(2-methoxyphenyl)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18837247
5-[(4-chlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 3746545
(5Z)-5-[(3,4-dichlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 2251768
(2E,5Z)-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 18845594
(5Z)-3-ethyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18838800
3-propan-2-yl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1209892
3-[2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]propanoic acid
CID 5138717
3-(4-ethylphenyl)-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4515306
(5Z)-3-(3-methylphenyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18836790
4-[(E)-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]-2-nitrophenolate
CID 2251702
(5E)-5-ethylidene-3-phenyl-1,3-thiazolidine-2,4-dione
CID 21364380

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 1350695) is 3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione is O=C1SC(=Cc2cccnc2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is HILIEQJLDPHDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2S/c18-14-13(9-11-5-4-8-16-10-11)20-15(19)17(14)12-6-2-1-3-7-12/h1-10H.
What are the key properties of 3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione?
3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 282.32 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1350695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).