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

C12H18N2O2S — CID 55226310

IUPAC4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCc1ncsc1CCN1CC(C)C(C(=O)O)C1
InChIInChI=1S/C12H18N2O2S/c1-8-5-14(6-10(8)12(15)16)4-3-11-9(2)13-7-17-11/h7-8,10H,3-6H2,1-2H3,(H,15,16)
InChIKeySZTNKUDAEAEKRW-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.65
Rot. Bonds4

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

4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 55226310) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID55226310
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCc1ncsc1CCN1CC(C)C(C(=O)O)C1
InChIInChI=1S/C12H18N2O2S/c1-8-5-14(6-10(8)12(15)16)4-3-11-9(2)13-7-17-11/h7-8,10H,3-6H2,1-2H3,(H,15,16)
InChIKeySZTNKUDAEAEKRW-UHFFFAOYSA-N
XLogP1.65
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid (CID 55226310) is 4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid is Cc1ncsc1CCN1CC(C)C(C(=O)O)C1.
What is the InChIKey of 4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is SZTNKUDAEAEKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8-5-14(6-10(8)12(15)16)4-3-11-9(2)13-7-17-11/h7-8,10H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid?
4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 254.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55226310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).