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

C11H15N3O2S — CID 102776528

IUPAC1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(c2nc(C3CC3)ns2)C1C(=O)O
InChIInChI=1S/C11H15N3O2S/c1-6-4-5-14(8(6)10(15)16)11-12-9(13-17-11)7-2-3-7/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyCAQVHFLKVAENDM-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.71
Rot. Bonds3

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

1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102776528) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102776528
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(c2nc(C3CC3)ns2)C1C(=O)O
InChIInChI=1S/C11H15N3O2S/c1-6-4-5-14(8(6)10(15)16)11-12-9(13-17-11)7-2-3-7/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyCAQVHFLKVAENDM-UHFFFAOYSA-N
XLogP1.71
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776659
3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
CID 102776527
3-methyl-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
CID 102776447
[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-3-yl]methanamine
CID 114961737
methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylate
CID 65274693
methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylate
CID 79839034
3-cyclopropyl-5-(4-cyclopropylidenepiperidin-1-yl)-1,2,4-thiadiazole
CID 121184324
1-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 71860393
3-cyclopropyl-5-(2-methylpiperazin-1-yl)-1,2,4-thiadiazole
CID 65275780
methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-3-carboxylate
CID 133430323
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid
CID 65270636
(3S,4S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-(oxolan-3-yl)pyrrolidine-3-carboxylic acid
CID 167781489

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid (CID 102776528) is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid is CC1CCN(c2nc(C3CC3)ns2)C1C(=O)O.
What is the InChIKey of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is CAQVHFLKVAENDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-6-4-5-14(8(6)10(15)16)11-12-9(13-17-11)7-2-3-7/h6-8H,2-5H2,1H3,(H,15,16).
What are the key properties of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid?
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 253.33 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102776528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).