1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid

C10H15N3O2S — CID 65270691

IUPAC1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCCc1nsc(N2CCCC2(C)C(=O)O)n1
InChIInChI=1S/C10H15N3O2S/c1-3-7-11-9(16-12-7)13-6-4-5-10(13,2)8(14)15/h3-6H2,1-2H3,(H,14,15)
InChIKeyIFVJQUCROYCWQF-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.54
Rot. Bonds3

About 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid

1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 65270691) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid
PubChem CID65270691
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCCc1nsc(N2CCCC2(C)C(=O)O)n1
InChIInChI=1S/C10H15N3O2S/c1-3-7-11-9(16-12-7)13-6-4-5-10(13,2)8(14)15/h3-6H2,1-2H3,(H,14,15)
InChIKeyIFVJQUCROYCWQF-UHFFFAOYSA-N
XLogP1.54
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid
CID 107304252
2-Methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid
CID 107304354
2-Ethyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid
CID 107304433
3-Methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid
CID 107304445
2-Propyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid
CID 107304448
(2R)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid
CID 122051708
(2S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid
CID 122059671
2-Methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
CID 65267487
4-Methoxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
CID 65267540
1-[1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 65268128
1-(3-Methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
CID 65268294
4-Hydroxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
CID 65268350

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid (CID 65270691) is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid is CCc1nsc(N2CCCC2(C)C(=O)O)n1.
What is the InChIKey of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is IFVJQUCROYCWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-3-7-11-9(16-12-7)13-6-4-5-10(13,2)8(14)15/h3-6H2,1-2H3,(H,14,15).
What are the key properties of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid?
1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 241.32 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65270691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).