1-(3,4-dimethylphenyl)-4-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]pyrrolidin-2-one

C19H21N3O3S — CID 90627494

IUPAC1-(3,4-dimethylphenyl)-4-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CC(Oc4nccs4)C3)CC2=O)cc1C
InChIInChI=1S/C19H21N3O3S/c1-12-3-4-15(7-13(12)2)22-9-14(8-17(22)23)18(24)21-10-16(11-21)25-19-20-5-6-26-19/h3-7,14,16H,8-11H2,1-2H3
InChIKeyWSKOAQVDIQIBIL-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.40
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-4-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]pyrrolidin-2-one

1-(3,4-dimethylphenyl)-4-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 90627494) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]pyrrolidin-2-one
PubChem CID90627494
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name1-(3,4-dimethylphenyl)-4-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CC(Oc4nccs4)C3)CC2=O)cc1C
InChIInChI=1S/C19H21N3O3S/c1-12-3-4-15(7-13(12)2)22-9-14(8-17(22)23)18(24)21-10-16(11-21)25-19-20-5-6-26-19/h3-7,14,16H,8-11H2,1-2H3
InChIKeyWSKOAQVDIQIBIL-UHFFFAOYSA-N
XLogP2.40
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethylphenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 90636988
(4R)-1-(3,4-dimethylphenyl)-4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392799
1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6461557
4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 121190934
1-(3,4-dimethylphenyl)-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 71798630
1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113186142
(4S)-4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 97354962
cyclopropyl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 73168830
(3,4-dimethylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150554
4-(4-cyclopropylidenepiperidine-1-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 121186906
4-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 119105504
(4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392063

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]pyrrolidin-2-one (CID 90627494) is 1-(3,4-dimethylphenyl)-4-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]pyrrolidin-2-one is Cc1ccc(N2CC(C(=O)N3CC(Oc4nccs4)C3)CC2=O)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is WSKOAQVDIQIBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-12-3-4-15(7-13(12)2)22-9-14(8-17(22)23)18(24)21-10-16(11-21)25-19-20-5-6-26-19/h3-7,14,16H,8-11H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]pyrrolidin-2-one?
1-(3,4-dimethylphenyl)-4-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 371.46 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 90627494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).