1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxylic acid

C11H16N2O2S — CID 79371886

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCc1nc(N2CCC(C(=O)O)C2C)sc1C
InChIInChI=1S/C11H16N2O2S/c1-6-8(3)16-11(12-6)13-5-4-9(7(13)2)10(14)15/h7,9H,4-5H2,1-3H3,(H,14,15)
InChIKeyAPLHEIZUGAUUNB-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.06
Rot. Bonds2

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxylic acid

1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79371886) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79371886
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCc1nc(N2CCC(C(=O)O)C2C)sc1C
InChIInChI=1S/C11H16N2O2S/c1-6-8(3)16-11(12-6)13-5-4-9(7(13)2)10(14)15/h7,9H,4-5H2,1-3H3,(H,14,15)
InChIKeyAPLHEIZUGAUUNB-UHFFFAOYSA-N
XLogP2.06
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-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 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxylic acid (CID 79371886) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxylic acid is Cc1nc(N2CCC(C(=O)O)C2C)sc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is APLHEIZUGAUUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-6-8(3)16-11(12-6)13-5-4-9(7(13)2)10(14)15/h7,9H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxylic acid?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 240.33 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79371886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).