4-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one

C19H26N4O2S — CID 154564819

IUPAC4-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
SMILESCCc1nnc(N2CC(C(=O)N3CC4CC5CC(C4)CC3C5)CC2=O)s1
InChIInChI=1S/C19H26N4O2S/c1-2-16-20-21-19(26-16)23-10-14(8-17(23)24)18(25)22-9-13-4-11-3-12(5-13)7-15(22)6-11/h11-15H,2-10H2,1H3
InChIKeyVTPRPEYLDYXZPE-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.49
Rot. Bonds3

About 4-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one

4-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one (PubChem CID 154564819) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
PubChem CID154564819
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name4-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
SMILESCCc1nnc(N2CC(C(=O)N3CC4CC5CC(C4)CC3C5)CC2=O)s1
InChIInChI=1S/C19H26N4O2S/c1-2-16-20-21-19(26-16)23-10-14(8-17(23)24)18(25)22-9-13-4-11-3-12(5-13)7-15(22)6-11/h11-15H,2-10H2,1H3
InChIKeyVTPRPEYLDYXZPE-UHFFFAOYSA-N
XLogP2.49
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-4-[1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carbonyl]piperazin-2-one
CID 154564044
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662204
1-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690491
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 155492947
4-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
CID 155494091
4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
CID 155497205
4-[5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide
CID 155509761
4-(3-hydroxyazetidine-1-carbonyl)-1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
CID 154821567
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 154820579
methyl 1-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxylate
CID 168692984
methyl 1-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168693081
1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 155494838

Frequently Asked Questions

What is the IUPAC name of 4-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one (CID 154564819) is 4-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one is CCc1nnc(N2CC(C(=O)N3CC4CC5CC(C4)CC3C5)CC2=O)s1.
What is the InChIKey of 4-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one?
The InChIKey is VTPRPEYLDYXZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-2-16-20-21-19(26-16)23-10-14(8-17(23)24)18(25)22-9-13-4-11-3-12(5-13)7-15(22)6-11/h11-15H,2-10H2,1H3.
What are the key properties of 4-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one?
4-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one has a molecular weight of 374.51 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 154564819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).