ethyl 4-methyl-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylate

C11H14N2O3S2 — CID 168708241

IUPACethyl 4-methyl-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2CC(S)CC2=O)nc1C
InChIInChI=1S/C11H14N2O3S2/c1-3-16-10(15)9-6(2)12-11(18-9)13-5-7(17)4-8(13)14/h7,17H,3-5H2,1-2H3
InChIKeyMBYBGNSLYISKGP-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.66
Rot. Bonds3

About ethyl 4-methyl-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylate (PubChem CID 168708241) has the molecular formula C11H14N2O3S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is ethyl 4-methyl-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylate
PubChem CID168708241
Molecular FormulaC11H14N2O3S2
Molecular Weight286.38 g/mol
Exact Mass286.04
IUPAC Nameethyl 4-methyl-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2CC(S)CC2=O)nc1C
InChIInChI=1S/C11H14N2O3S2/c1-3-16-10(15)9-6(2)12-11(18-9)13-5-7(17)4-8(13)14/h7,17H,3-5H2,1-2H3
InChIKeyMBYBGNSLYISKGP-UHFFFAOYSA-N
XLogP1.66
TPSA59.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze ethyl 4-methyl-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)-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

ethyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 168659314
ethyl 2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 73213190
ethyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 60528785
ethyl 2-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,3-oxazole-5-carboxylate
CID 168708254
ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)-5-bromo-1,3-thiazole-4-carboxylate
CID 168699278
ethyl 5-(4-chloro-2-oxopyrrolidin-1-yl)-1,3,4-thiadiazole-2-carboxylate
CID 168687504
ethyl 2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1,3-thiazole-4-carboxylate
CID 168507161
ethyl 5-bromo-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-1,3-thiazole-4-carboxylate
CID 168696229
ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 6493237
N,N,4-trimethyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
CID 168681555
ethyl 3-bromo-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzoate
CID 168708231
ethyl 4-methyl-2-[4-(propylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 67548912

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylate (CID 168708241) is ethyl 4-methyl-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N2CC(S)CC2=O)nc1C.
What is the InChIKey of ethyl 4-methyl-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is MBYBGNSLYISKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S2/c1-3-16-10(15)9-6(2)12-11(18-9)13-5-7(17)4-8(13)14/h7,17H,3-5H2,1-2H3.
What are the key properties of ethyl 4-methyl-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 286.38 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 168708241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).