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

C12H17N3O2S — CID 133430323

Data last refreshed: (MolForge compound catalog, from PubChem)

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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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).

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