(5R)-5-(4-ethoxyanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione

C18H18N2O3S — CID 1380334

IUPAC(5R)-5-(4-ethoxyanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccc(N[C@@H]2SC(=O)N(c3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C18H18N2O3S/c1-3-23-15-10-6-13(7-11-15)19-16-17(21)20(18(22)24-16)14-8-4-12(2)5-9-14/h4-11,16,19H,3H2,1-2H3/t16-/m1/s1
InChIKeyJKVZTIWSZPZDIB-MRXNPFEDSA-N
MW342.42 g/mol
LogP4.03
Rot. Bonds5

About (5R)-5-(4-ethoxyanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione

(5R)-5-(4-ethoxyanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 1380334) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is (5R)-5-(4-ethoxyanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(4-ethoxyanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID1380334
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name(5R)-5-(4-ethoxyanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccc(N[C@@H]2SC(=O)N(c3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C18H18N2O3S/c1-3-23-15-10-6-13(7-11-15)19-16-17(21)20(18(22)24-16)14-8-4-12(2)5-9-14/h4-11,16,19H,3H2,1-2H3/t16-/m1/s1
InChIKeyJKVZTIWSZPZDIB-MRXNPFEDSA-N
XLogP4.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

5-anilino-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 3107998
4-[[(5R)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]benzoic acid
CID 1380331
(5S)-5-(4-ethoxyanilino)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 40636953
(5R)-5-(3-chloro-4-methylanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 1349788
ethyl 4-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoate
CID 2850048
ethyl 2-[(5S)-5-(4-methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 7162198
(3R)-3-(4-methylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7025063
(5R)-5-(4-chloroanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 42426561
3-(4-ethoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 3367041
5-(4-butylanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 5193553
3-(3,4-dimethylanilino)-4-(4-ethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110588349
1-(4-ethoxyphenyl)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 134092663

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-ethoxyanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5R)-5-(4-ethoxyanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione (CID 1380334) is (5R)-5-(4-ethoxyanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(4-ethoxyanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(4-ethoxyanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione is CCOc1ccc(N[C@@H]2SC(=O)N(c3ccc(C)cc3)C2=O)cc1.
What is the InChIKey of (5R)-5-(4-ethoxyanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is JKVZTIWSZPZDIB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-3-23-15-10-6-13(7-11-15)19-16-17(21)20(18(22)24-16)14-8-4-12(2)5-9-14/h4-11,16,19H,3H2,1-2H3/t16-/m1/s1.
What are the key properties of (5R)-5-(4-ethoxyanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione?
(5R)-5-(4-ethoxyanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 342.42 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-ethoxyanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1380334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).