1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one

C19H22N4O3S — CID 155492947

IUPAC1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
SMILESCCc1nnc(N2CC(C(=O)N3CC(Oc4ccccc4C)C3)CC2=O)s1
InChIInChI=1S/C19H22N4O3S/c1-3-16-20-21-19(27-16)23-9-13(8-17(23)24)18(25)22-10-14(11-22)26-15-7-5-4-6-12(15)2/h4-7,13-14H,3,8-11H2,1-2H3
InChIKeyPXXBENYQZGSUDS-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.05
Rot. Bonds5

About 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one

1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 155492947) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
PubChem CID155492947
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
SMILESCCc1nnc(N2CC(C(=O)N3CC(Oc4ccccc4C)C3)CC2=O)s1
InChIInChI=1S/C19H22N4O3S/c1-3-16-20-21-19(27-16)23-9-13(8-17(23)24)18(25)22-10-14(11-22)26-15-7-5-4-6-12(15)2/h4-7,13-14H,3,8-11H2,1-2H3
InChIKeyPXXBENYQZGSUDS-UHFFFAOYSA-N
XLogP2.05
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-1-(3-hydroxyphenyl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 97202403
N-[2-(2-ethylphenoxy)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 154819737
4-(3-hydroxyazetidine-1-carbonyl)-1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
CID 154821567
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-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one
CID 154563661
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
4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
CID 155497205
1-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 155494838
1-cyclohexyl-4-[1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carbonyl]piperazin-2-one
CID 154564044
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6463897
1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(4-methoxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 154569780
N-[(3-chloro-2-methylphenyl)methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 155508536

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one (CID 155492947) is 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one is CCc1nnc(N2CC(C(=O)N3CC(Oc4ccccc4C)C3)CC2=O)s1.
What is the InChIKey of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is PXXBENYQZGSUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-3-16-20-21-19(27-16)23-9-13(8-17(23)24)18(25)22-10-14(11-22)26-15-7-5-4-6-12(15)2/h4-7,13-14H,3,8-11H2,1-2H3.
What are the key properties of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one?
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 386.48 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 155492947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).