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

C16H26N4O3S — CID 6497401

IUPAC1-(1-methoxypropan-2-yl)-5-oxo-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCCC(C)c1nnc(NC(=O)C2CC(=O)N(C(C)COC)C2)s1
InChIInChI=1S/C16H26N4O3S/c1-5-6-10(2)15-18-19-16(24-15)17-14(22)12-7-13(21)20(8-12)11(3)9-23-4/h10-12H,5-9H2,1-4H3,(H,17,19,22)
InChIKeyABQWWDQYHLPSSF-UHFFFAOYSA-N
MW354.48 g/mol
LogP2.26
Rot. Bonds8

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

1-(1-methoxypropan-2-yl)-5-oxo-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 6497401) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-5-oxo-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-5-oxo-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID6497401
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name1-(1-methoxypropan-2-yl)-5-oxo-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCCC(C)c1nnc(NC(=O)C2CC(=O)N(C(C)COC)C2)s1
InChIInChI=1S/C16H26N4O3S/c1-5-6-10(2)15-18-19-16(24-15)17-14(22)12-7-13(21)20(8-12)11(3)9-23-4/h10-12H,5-9H2,1-4H3,(H,17,19,22)
InChIKeyABQWWDQYHLPSSF-UHFFFAOYSA-N
XLogP2.26
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-5-oxo-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(1-methoxypropan-2-yl)-5-oxo-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (CID 6497401) is 1-(1-methoxypropan-2-yl)-5-oxo-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-5-oxo-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-5-oxo-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is CCCC(C)c1nnc(NC(=O)C2CC(=O)N(C(C)COC)C2)s1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-5-oxo-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is ABQWWDQYHLPSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-5-6-10(2)15-18-19-16(24-15)17-14(22)12-7-13(21)20(8-12)11(3)9-23-4/h10-12H,5-9H2,1-4H3,(H,17,19,22).
What are the key properties of 1-(1-methoxypropan-2-yl)-5-oxo-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
1-(1-methoxypropan-2-yl)-5-oxo-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-5-oxo-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 6497401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).