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

C16H12N2O2S — CID 18836790

IUPAC(5Z)-3-(3-methylphenyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESCc1cccc(N2C(=O)S/C(=C\c3ccncc3)C2=O)c1
InChIInChI=1S/C16H12N2O2S/c1-11-3-2-4-13(9-11)18-15(19)14(21-16(18)20)10-12-5-7-17-8-6-12/h2-10H,1H3/b14-10-
InChIKeyZPQOSFFZMQBQNZ-UVTDQMKNSA-N
MW296.35 g/mol
LogP3.63
Rot. Bonds2

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

(5Z)-3-(3-methylphenyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 18836790) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is (5Z)-3-(3-methylphenyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(3-methylphenyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID18836790
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC Name(5Z)-3-(3-methylphenyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESCc1cccc(N2C(=O)S/C(=C\c3ccncc3)C2=O)c1
InChIInChI=1S/C16H12N2O2S/c1-11-3-2-4-13(9-11)18-15(19)14(21-16(18)20)10-12-5-7-17-8-6-12/h2-10H,1H3/b14-10-
InChIKeyZPQOSFFZMQBQNZ-UVTDQMKNSA-N
XLogP3.63
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.63
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

(5Z)-5-[(4-chlorophenyl)methylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836767
(5Z)-5-[(3-hydroxyphenyl)methylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836725
(5Z)-3-(3-methylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18836772
(5Z)-3-(4-chlorophenyl)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840493
(5Z)-3-(4-ethoxyphenyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18839726
(5Z)-3-(4-ethylphenyl)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18836981
4-[[3-(3-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde
CID 4763223
3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1350695
(5Z)-3-(4-butylphenyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18837165
4-[[3-(3-hydroxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde
CID 4763216
(5Z)-3-(3-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1284073
(5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836782

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(3-methylphenyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(3-methylphenyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 18836790) is (5Z)-3-(3-methylphenyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(3-methylphenyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(3-methylphenyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione is Cc1cccc(N2C(=O)S/C(=C\c3ccncc3)C2=O)c1.
What is the InChIKey of (5Z)-3-(3-methylphenyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is ZPQOSFFZMQBQNZ-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H12N2O2S/c1-11-3-2-4-13(9-11)18-15(19)14(21-16(18)20)10-12-5-7-17-8-6-12/h2-10H,1H3/b14-10-.
What are the key properties of (5Z)-3-(3-methylphenyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5Z)-3-(3-methylphenyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 296.35 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(3-methylphenyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18836790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).