ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxylate

C13H20N2O2S — CID 55035250

IUPACethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1CCc1scnc1C
InChIInChI=1S/C13H20N2O2S/c1-3-17-13(16)11-5-4-7-15(11)8-6-12-10(2)14-9-18-12/h9,11H,3-8H2,1-2H3
InChIKeyKIRAEJWCJIAKBR-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.02
Rot. Bonds5

About ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxylate

ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxylate (PubChem CID 55035250) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxylate
PubChem CID55035250
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Nameethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1CCc1scnc1C
InChIInChI=1S/C13H20N2O2S/c1-3-17-13(16)11-5-4-7-15(11)8-6-12-10(2)14-9-18-12/h9,11H,3-8H2,1-2H3
InChIKeyKIRAEJWCJIAKBR-UHFFFAOYSA-N
XLogP2.02
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-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 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-2-carboxylate
CID 78997614
tert-butyl (2R)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxylate
CID 80710247
ethyl 1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylate
CID 55236129
2-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339519
4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiomorpholine-3-carboxylic acid
CID 82909197
ethyl 1-(2-ethoxyethyl)pyrrolidine-2-carboxylate
CID 62028361
5-[2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 102681662
ethyl 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2-carboxylate
CID 62028747
N-[[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methyl]ethanamine
CID 63847833
2-(4-methyl-1,3-thiazol-5-yl)ethyl cyclopropanecarboxylate
CID 11401580
ethyl 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
CID 62028172
ethyl 1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]pyrrolidine-2-carboxylate
CID 62011709

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxylate (CID 55035250) is ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1CCc1scnc1C.
What is the InChIKey of ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxylate?
The InChIKey is KIRAEJWCJIAKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-17-13(16)11-5-4-7-15(11)8-6-12-10(2)14-9-18-12/h9,11H,3-8H2,1-2H3.
What are the key properties of ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxylate?
ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxylate has a molecular weight of 268.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 55035250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).