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

C12H17N3O2S — CID 133430323

IUPACmethyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1(C)CCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C12H17N3O2S/c1-12(10(16)17-2)5-6-15(7-12)11-13-9(14-18-11)8-3-4-8/h8H,3-7H2,1-2H3
InChIKeyXOPXZSSTURZXBN-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.80
Rot. Bonds3

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

methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-3-carboxylate (PubChem CID 133430323) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-3-carboxylate
PubChem CID133430323
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Namemethyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1(C)CCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C12H17N3O2S/c1-12(10(16)17-2)5-6-15(7-12)11-13-9(14-18-11)8-3-4-8/h8H,3-7H2,1-2H3
InChIKeyXOPXZSSTURZXBN-UHFFFAOYSA-N
XLogP1.80
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.80
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)-N,4-dimethylpiperidin-4-amine
CID 113283152
methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylate
CID 79839034
3-cyclopropyl-5-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole
CID 121184656
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid
CID 65270636
methyl 3-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxylate
CID 133362806
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776528
tert-butyl N-[(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]carbamate
CID 133380890
methyl 1-(6-chloro-2-methylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate
CID 133362813
3-cyclopropyl-5-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-fluoropyrrolidin-3-yl]-1,2,4-oxadiazole
CID 171326859
3-cyclopropyl-5-(4-cyclopropylidenepiperidin-1-yl)-1,2,4-thiadiazole
CID 121184324
(5S)-7-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,7-diazaspiro[4.5]decan-3-one
CID 164641516

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-3-carboxylate (CID 133430323) is methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-3-carboxylate is COC(=O)C1(C)CCN(c2nc(C3CC3)ns2)C1.
What is the InChIKey of methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-3-carboxylate?
The InChIKey is XOPXZSSTURZXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-12(10(16)17-2)5-6-15(7-12)11-13-9(14-18-11)8-3-4-8/h8H,3-7H2,1-2H3.
What are the key properties of methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-3-carboxylate?
methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-3-carboxylate has a molecular weight of 267.35 g/mol, XLogP of 1.80, 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)-3-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 133430323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).