1-(2-methoxyethyl)-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

C15H24N4O3S — CID 108805600

IUPAC1-(2-methoxyethyl)-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)C2CC(=O)N(CCOC)C2)s1
InChIInChI=1S/C15H24N4O3S/c1-4-10(5-2)14-17-18-15(23-14)16-13(21)11-8-12(20)19(9-11)6-7-22-3/h10-11H,4-9H2,1-3H3,(H,16,18,21)
InChIKeyBZERYRDYBAAQLY-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.88
Rot. Bonds8

About 1-(2-methoxyethyl)-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

1-(2-methoxyethyl)-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 108805600) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID108805600
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name1-(2-methoxyethyl)-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)C2CC(=O)N(CCOC)C2)s1
InChIInChI=1S/C15H24N4O3S/c1-4-10(5-2)14-17-18-15(23-14)16-13(21)11-8-12(20)19(9-11)6-7-22-3/h10-11H,4-9H2,1-3H3,(H,16,18,21)
InChIKeyBZERYRDYBAAQLY-UHFFFAOYSA-N
XLogP1.88
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (CID 108805600) is 1-(2-methoxyethyl)-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is CCC(CC)c1nnc(NC(=O)C2CC(=O)N(CCOC)C2)s1.
What is the InChIKey of 1-(2-methoxyethyl)-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is BZERYRDYBAAQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-4-10(5-2)14-17-18-15(23-14)16-13(21)11-8-12(20)19(9-11)6-7-22-3/h10-11H,4-9H2,1-3H3,(H,16,18,21).
What are the key properties of 1-(2-methoxyethyl)-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
1-(2-methoxyethyl)-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 108805600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).