ethyl 2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

C17H19N3O3S — CID 73213190

IUPACethyl 2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2C[C@@H](Cc3ccccc3)NC2=O)nc1C
InChIInChI=1S/C17H19N3O3S/c1-3-23-15(21)14-11(2)18-17(24-14)20-10-13(19-16(20)22)9-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3,(H,19,22)/t13-/m1/s1
InChIKeyNTBYJRKMEOMVIE-CYBMUJFWSA-N
MW345.42 g/mol
LogP2.77
Rot. Bonds5

About ethyl 2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 73213190) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is ethyl 2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID73213190
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Nameethyl 2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2C[C@@H](Cc3ccccc3)NC2=O)nc1C
InChIInChI=1S/C17H19N3O3S/c1-3-23-15(21)14-11(2)18-17(24-14)20-10-13(19-16(20)22)9-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3,(H,19,22)/t13-/m1/s1
InChIKeyNTBYJRKMEOMVIE-CYBMUJFWSA-N
XLogP2.77
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-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

2-(4-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 59481304
ethyl 4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylate
CID 58031520
ethyl 4-methyl-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylate
CID 168708241
ethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate
CID 7454215
ethyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 168659314
ethyl 2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 24951183
ethyl 4-methyl-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 69188762
4-methyl-2-(4-methyl-2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 66661593
ethyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 60528785
ethyl 2-[3-benzoyl-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 4747489
ethyl 5-methyl-1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]triazole-4-carboxylate
CID 59179647
ethyl 2-[2-(4-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 3146523

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate (CID 73213190) is ethyl 2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N2C[C@@H](Cc3ccccc3)NC2=O)nc1C.
What is the InChIKey of ethyl 2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is NTBYJRKMEOMVIE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-3-23-15(21)14-11(2)18-17(24-14)20-10-13(19-16(20)22)9-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3,(H,19,22)/t13-/m1/s1.
What are the key properties of ethyl 2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 345.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 73213190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).