2-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole

C11H19N3O2S — CID 133331896

IUPAC2-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCOCCOCC1CCN(c2nnc(C)s2)C1
InChIInChI=1S/C11H19N3O2S/c1-9-12-13-11(17-9)14-4-3-10(7-14)8-16-6-5-15-2/h10H,3-8H2,1-2H3
InChIKeyDXGRCYDEGJVZPR-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.34
Rot. Bonds6

About 2-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole

2-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole (PubChem CID 133331896) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole
PubChem CID133331896
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name2-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCOCCOCC1CCN(c2nnc(C)s2)C1
InChIInChI=1S/C11H19N3O2S/c1-9-12-13-11(17-9)14-4-3-10(7-14)8-16-6-5-15-2/h10H,3-8H2,1-2H3
InChIKeyDXGRCYDEGJVZPR-UHFFFAOYSA-N
XLogP1.34
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole (CID 133331896) is 2-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole is COCCOCC1CCN(c2nnc(C)s2)C1.
What is the InChIKey of 2-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is DXGRCYDEGJVZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-9-12-13-11(17-9)14-4-3-10(7-14)8-16-6-5-15-2/h10H,3-8H2,1-2H3.
What are the key properties of 2-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole?
2-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 257.36 g/mol, XLogP of 1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 133331896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).