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

C11H16N2O2S — CID 55219600

IUPACmethyl 1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1Cc1cnc(C)s1
InChIInChI=1S/C11H16N2O2S/c1-8-12-6-9(16-8)7-13-5-3-4-10(13)11(14)15-2/h6,10H,3-5,7H2,1-2H3
InChIKeyZHIFTMQSUNVMSW-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.59
Rot. Bonds3

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

methyl 1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate (PubChem CID 55219600) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is methyl 1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate
PubChem CID55219600
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Namemethyl 1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1Cc1cnc(C)s1
InChIInChI=1S/C11H16N2O2S/c1-8-12-6-9(16-8)7-13-5-3-4-10(13)11(14)15-2/h6,10H,3-5,7H2,1-2H3
InChIKeyZHIFTMQSUNVMSW-UHFFFAOYSA-N
XLogP1.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-[(2-methyl-1,3-thiazol-5-yl)methyl]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

methyl (2S)-2-[cyclobutyl(1,3-thiazol-5-ylmethyl)amino]propanoate
CID 99834109
methyl (2S)-1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidine-2-carboxylate
CID 58328472
Methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 79771551
Ethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 79771838
methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 94948782
[5-[[2-(Methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl] carbamate
CID 118981144
[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl] carbamate
CID 130364618
5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 141207783
5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 141485080
(2S,4R)-1-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 156060726
Methyl 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentanoate
CID 54868546
Methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentanoate
CID 54883233

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate (CID 55219600) is methyl 1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1Cc1cnc(C)s1.
What is the InChIKey of methyl 1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate?
The InChIKey is ZHIFTMQSUNVMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8-12-6-9(16-8)7-13-5-3-4-10(13)11(14)15-2/h6,10H,3-5,7H2,1-2H3.
What are the key properties of methyl 1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate?
methyl 1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate has a molecular weight of 240.33 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 55219600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).