2-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid

C11H17N3O2S — CID 65270639

IUPAC2-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
SMILESCC(C)c1nsc(N2CCCC2(C)C(=O)O)n1
InChIInChI=1S/C11H17N3O2S/c1-7(2)8-12-10(17-13-8)14-6-4-5-11(14,3)9(15)16/h7H,4-6H2,1-3H3,(H,15,16)
InChIKeyYKXQASCLKGZDCQ-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.11
Rot. Bonds3

About 2-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid

2-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid (PubChem CID 65270639) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
PubChem CID65270639
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
SMILESCC(C)c1nsc(N2CCCC2(C)C(=O)O)n1
InChIInChI=1S/C11H17N3O2S/c1-7(2)8-12-10(17-13-8)14-6-4-5-11(14,3)9(15)16/h7H,4-6H2,1-3H3,(H,15,16)
InChIKeyYKXQASCLKGZDCQ-UHFFFAOYSA-N
XLogP2.11
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-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 2-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid (CID 65270639) is 2-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid is CC(C)c1nsc(N2CCCC2(C)C(=O)O)n1.
What is the InChIKey of 2-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is YKXQASCLKGZDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-7(2)8-12-10(17-13-8)14-6-4-5-11(14,3)9(15)16/h7H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid?
2-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 255.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65270639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).