ethyl 4-methyl-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-1,3-oxazole-5-carboxylate

C10H11N3O4S — CID 162666215

IUPACethyl 4-methyl-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(/N=C2\NC(=O)CS2)nc1C
InChIInChI=1S/C10H11N3O4S/c1-3-16-8(15)7-5(2)11-9(17-7)13-10-12-6(14)4-18-10/h3-4H2,1-2H3,(H,11,12,13,14)
InChIKeyDVJMORRUOQJWLL-UHFFFAOYSA-N
MW269.28 g/mol
LogP1.01
Rot. Bonds3

About ethyl 4-methyl-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-1,3-oxazole-5-carboxylate

ethyl 4-methyl-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-1,3-oxazole-5-carboxylate (PubChem CID 162666215) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is ethyl 4-methyl-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-1,3-oxazole-5-carboxylate
PubChem CID162666215
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Nameethyl 4-methyl-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(/N=C2\NC(=O)CS2)nc1C
InChIInChI=1S/C10H11N3O4S/c1-3-16-8(15)7-5(2)11-9(17-7)13-10-12-6(14)4-18-10/h3-4H2,1-2H3,(H,11,12,13,14)
InChIKeyDVJMORRUOQJWLL-UHFFFAOYSA-N
XLogP1.01
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 4-methyl-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-1,3-oxazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]acetate
CID 137163257
2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
CID 137194848
ethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-oxazole-5-carboxylate
CID 102580283
ethyl 2-(3-chlorothiophen-2-yl)-4-methyl-1,3-oxazole-5-carboxylate
CID 80641084
ethyl 4-methyl-2-(2-oxopropyl)-1,3-oxazole-5-carboxylate;4-methyl-2-(2-oxopropyl)-1,3-oxazole-5-carboxylic acid
CID 159865521
2-[1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135498282
2-[(5-methyl-1H-pyrazol-3-yl)imino]-1,3-thiazolidin-4-one
CID 172639911
ethyl 4-methyl-2-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxylate
CID 59823769
ethyl 4-methyl-2-[(E)-(4-oxo-1,3-selenazolidin-2-ylidene)amino]-1,3-thiazole-5-carboxylate
CID 162674389
ethyl 2-(4,5-dibromothiophen-2-yl)-4-methyl-1,3-oxazole-5-carboxylate
CID 80538117
ethyl 2-(3,5-dimethylanilino)-4-methyl-1,3-oxazole-5-carboxylate
CID 139225271
ethyl 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methyl-1,3-oxazole-5-carboxylate
CID 66395605

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-1,3-oxazole-5-carboxylate (CID 162666215) is ethyl 4-methyl-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(/N=C2\NC(=O)CS2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-1,3-oxazole-5-carboxylate?
The InChIKey is DVJMORRUOQJWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-3-16-8(15)7-5(2)11-9(17-7)13-10-12-6(14)4-18-10/h3-4H2,1-2H3,(H,11,12,13,14).
What are the key properties of ethyl 4-methyl-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-1,3-oxazole-5-carboxylate?
ethyl 4-methyl-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-1,3-oxazole-5-carboxylate has a molecular weight of 269.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 162666215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).