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

C11H15N3O2S — CID 65270636

IUPAC1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1c1nc(C2CC2)ns1
InChIInChI=1S/C11H15N3O2S/c1-11(9(15)16)5-2-6-14(11)10-12-8(13-17-10)7-3-4-7/h7H,2-6H2,1H3,(H,15,16)
InChIKeyRQMRCONJBMCUGS-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.86
Rot. Bonds3

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

1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 65270636) 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)-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid
PubChem CID65270636
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1c1nc(C2CC2)ns1
InChIInChI=1S/C11H15N3O2S/c1-11(9(15)16)5-2-6-14(11)10-12-8(13-17-10)7-3-4-7/h7H,2-6H2,1H3,(H,15,16)
InChIKeyRQMRCONJBMCUGS-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methylpiperidine-2-carboxylic acid
CID 104595739
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)-3-methylpyrrolidine-2-carboxylic acid
CID 102776528
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpiperidin-4-amine
CID 113283152
1-(4-bromo-1,3-thiazol-2-yl)-2-methylpiperidine-2-carboxylic acid
CID 104595774
1-(2,1-benzothiazol-3-yl)-2-methylpyrrolidine-2-carboxylic acid
CID 66356337
(5S)-7-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,7-diazaspiro[4.5]decan-3-one
CID 164641516
3-cyclopropyl-5-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole
CID 121184656
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxylic acid
CID 65274629
methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylate
CID 65274693
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid
CID 136972392
1-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 71860393

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid (CID 65270636) is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid is CC1(C(=O)O)CCCN1c1nc(C2CC2)ns1.
What is the InChIKey of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is RQMRCONJBMCUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-11(9(15)16)5-2-6-14(11)10-12-8(13-17-10)7-3-4-7/h7H,2-6H2,1H3,(H,15,16).
What are the key properties of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid?
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 253.33 g/mol, XLogP of 1.86, 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)-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65270636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).