methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylate

C11H15N3O2S — CID 79839034

IUPACmethyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C11H15N3O2S/c1-16-10(15)8-4-5-14(6-8)11-12-9(13-17-11)7-2-3-7/h7-8H,2-6H2,1H3
InChIKeyLAIYHQLGODGSAI-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.41
Rot. Bonds3

About methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylate

methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylate (PubChem CID 79839034) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylate
PubChem CID79839034
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Namemethyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C11H15N3O2S/c1-16-10(15)8-4-5-14(6-8)11-12-9(13-17-11)7-2-3-7/h7-8H,2-6H2,1H3
InChIKeyLAIYHQLGODGSAI-UHFFFAOYSA-N
XLogP1.41
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylate
CID 65274693
[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165434962
ethyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylate
CID 65275419
tert-butyl N-[(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]carbamate
CID 133380890
[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 155800065
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)-N-methylpiperidin-3-amine
CID 65276097
1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-N-methylmethanamine
CID 65276256
N-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
CID 71923656
N-[(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
CID 97097853
[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-3-yl]methanamine
CID 114961737
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776528

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylate (CID 79839034) is methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(c2nc(C3CC3)ns2)C1.
What is the InChIKey of methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylate?
The InChIKey is LAIYHQLGODGSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-16-10(15)8-4-5-14(6-8)11-12-9(13-17-11)7-2-3-7/h7-8H,2-6H2,1H3.
What are the key properties of methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylate?
methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylate has a molecular weight of 253.33 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 79839034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).