ethyl (3R)-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate

C14H23N3O2S — CID 125438149

IUPACethyl (3R)-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CC[C@@H](NCCc2csc(CC)n2)C1
InChIInChI=1S/C14H23N3O2S/c1-3-13-16-12(10-20-13)5-7-15-11-6-8-17(9-11)14(18)19-4-2/h10-11,15H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyGRNVRRNVXCJLKS-LLVKDONJSA-N
MW297.42 g/mol
LogP2.07
Rot. Bonds6

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

ethyl (3R)-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate (PubChem CID 125438149) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is ethyl (3R)-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
PubChem CID125438149
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Nameethyl (3R)-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CC[C@@H](NCCc2csc(CC)n2)C1
InChIInChI=1S/C14H23N3O2S/c1-3-13-16-12(10-20-13)5-7-15-11-6-8-17(9-11)14(18)19-4-2/h10-11,15H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyGRNVRRNVXCJLKS-LLVKDONJSA-N
XLogP2.07
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (3R)-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-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 (3R)-3-[(2-propyl-1,3-thiazol-4-yl)methylamino]pyrrolidine-1-carboxylate
CID 125448097
tert-butyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103748044
ethyl 4-[3-(2-methyl-1,3-thiazol-4-yl)propanoylamino]piperidine-1-carboxylate
CID 110332728
ethyl 4-[[N'-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111830639
4-ethoxy-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpiperidine-1-carboximidamide
CID 111959969
3-(2-amino-2-oxoethyl)-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
CID 71865717
ethyl 4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]piperidine-1-carboxylate
CID 31339684
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine
CID 115882093
ethyl 4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate
CID 71921306
ethyl 4-[2-(1,3-benzothiazol-2-yl)ethylamino]piperidine-1-carboxylate
CID 57059005
ethyl 4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 47445179
[4-[(2-ethyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone
CID 47619089

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate?
The IUPAC name of ethyl (3R)-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate (CID 125438149) is ethyl (3R)-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl (3R)-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate?
The canonical SMILES for ethyl (3R)-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate is CCOC(=O)N1CC[C@@H](NCCc2csc(CC)n2)C1.
What is the InChIKey of ethyl (3R)-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate?
The InChIKey is GRNVRRNVXCJLKS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-13-16-12(10-20-13)5-7-15-11-6-8-17(9-11)14(18)19-4-2/h10-11,15H,3-9H2,1-2H3/t11-/m1/s1.
What are the key properties of ethyl (3R)-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate?
ethyl (3R)-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate has a molecular weight of 297.42 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 125438149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).