4-(2,2-diethylmorpholine-4-carbonyl)-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one

C18H28N4O4S — CID 155498399

IUPAC4-(2,2-diethylmorpholine-4-carbonyl)-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
SMILESCCOCc1nnc(N2CC(C(=O)N3CCOC(CC)(CC)C3)CC2=O)s1
InChIInChI=1S/C18H28N4O4S/c1-4-18(5-2)12-21(7-8-26-18)16(24)13-9-15(23)22(10-13)17-20-19-14(27-17)11-25-6-3/h13H,4-12H2,1-3H3
InChIKeyGWNWVIHJRJPUOK-UHFFFAOYSA-N
MW396.51 g/mol
LogP1.85
Rot. Bonds7

About 4-(2,2-diethylmorpholine-4-carbonyl)-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one

4-(2,2-diethylmorpholine-4-carbonyl)-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one (PubChem CID 155498399) has the molecular formula C18H28N4O4S and a molecular weight of 396.51 g/mol. Its IUPAC name is 4-(2,2-diethylmorpholine-4-carbonyl)-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2,2-diethylmorpholine-4-carbonyl)-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
PubChem CID155498399
Molecular FormulaC18H28N4O4S
Molecular Weight396.51 g/mol
Exact Mass396.18
IUPAC Name4-(2,2-diethylmorpholine-4-carbonyl)-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
SMILESCCOCc1nnc(N2CC(C(=O)N3CCOC(CC)(CC)C3)CC2=O)s1
InChIInChI=1S/C18H28N4O4S/c1-4-18(5-2)12-21(7-8-26-18)16(24)13-9-15(23)22(10-13)17-20-19-14(27-17)11-25-6-3/h13H,4-12H2,1-3H3
InChIKeyGWNWVIHJRJPUOK-UHFFFAOYSA-N
XLogP1.85
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-diethylmorpholine-4-carbonyl)-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 4-(2,2-diethylmorpholine-4-carbonyl)-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one (CID 155498399) is 4-(2,2-diethylmorpholine-4-carbonyl)-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(2,2-diethylmorpholine-4-carbonyl)-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(2,2-diethylmorpholine-4-carbonyl)-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one is CCOCc1nnc(N2CC(C(=O)N3CCOC(CC)(CC)C3)CC2=O)s1.
What is the InChIKey of 4-(2,2-diethylmorpholine-4-carbonyl)-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
The InChIKey is GWNWVIHJRJPUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4S/c1-4-18(5-2)12-21(7-8-26-18)16(24)13-9-15(23)22(10-13)17-20-19-14(27-17)11-25-6-3/h13H,4-12H2,1-3H3.
What are the key properties of 4-(2,2-diethylmorpholine-4-carbonyl)-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
4-(2,2-diethylmorpholine-4-carbonyl)-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one has a molecular weight of 396.51 g/mol, XLogP of 1.85, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diethylmorpholine-4-carbonyl)-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 155498399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).