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

C8H11N3O2S — CID 65268294

IUPAC1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
SMILESCc1nsc(N2CCCC2C(=O)O)n1
InChIInChI=1S/C8H11N3O2S/c1-5-9-8(14-10-5)11-4-2-3-6(11)7(12)13/h6H,2-4H2,1H3,(H,12,13)
InChIKeyUZQCWVQQCPSALQ-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.90
Rot. Bonds2

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

1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid (PubChem CID 65268294) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
PubChem CID65268294
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
SMILESCc1nsc(N2CCCC2C(=O)O)n1
InChIInChI=1S/C8H11N3O2S/c1-5-9-8(14-10-5)11-4-2-3-6(11)7(12)13/h6H,2-4H2,1H3,(H,12,13)
InChIKeyUZQCWVQQCPSALQ-UHFFFAOYSA-N
XLogP0.90
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid (CID 65268294) is 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid is Cc1nsc(N2CCCC2C(=O)O)n1.
What is the InChIKey of 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is UZQCWVQQCPSALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-5-9-8(14-10-5)11-4-2-3-6(11)7(12)13/h6H,2-4H2,1H3,(H,12,13).
What are the key properties of 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid?
1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 213.26 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65268294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).