(1,1-dioxothiolan-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone

C16H20N4O4S2 — CID 55462299

IUPAC(1,1-dioxothiolan-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(C1CCS(=O)(=O)C1)N1CCN(Cc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C16H20N4O4S2/c21-16(12-3-9-26(22,23)11-12)20-6-4-19(5-7-20)10-14-17-15(18-24-14)13-2-1-8-25-13/h1-2,8,12H,3-7,9-11H2
InChIKeyPVDOSTJEWWWNNW-UHFFFAOYSA-N
MW396.49 g/mol
LogP0.88
Rot. Bonds4

About (1,1-dioxothiolan-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone

(1,1-dioxothiolan-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone (PubChem CID 55462299) has the molecular formula C16H20N4O4S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is (1,1-dioxothiolan-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1,1-dioxothiolan-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
PubChem CID55462299
Molecular FormulaC16H20N4O4S2
Molecular Weight396.49 g/mol
Exact Mass396.09
IUPAC Name(1,1-dioxothiolan-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(C1CCS(=O)(=O)C1)N1CCN(Cc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C16H20N4O4S2/c21-16(12-3-9-26(22,23)11-12)20-6-4-19(5-7-20)10-14-17-15(18-24-14)13-2-1-8-25-13/h1-2,8,12H,3-7,9-11H2
InChIKeyPVDOSTJEWWWNNW-UHFFFAOYSA-N
XLogP0.88
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (1,1-dioxothiolan-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone 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

(3S)-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
CID 29088707
piperidin-2-yl-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119839823
(3-methylpiperidin-1-yl)-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone
CID 43928880
2-bicyclo[2.2.1]heptanyl-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 51323699
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120797525
(4-methylsulfonylpiperazin-1-yl)-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 52993062
(4-methylsulfonylpiperazin-1-yl)-[(3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 52907841
(1-aminocyclopentyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119839827
(2R)-2-amino-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119839831
(3S)-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]-3,4-dihydroisochromen-1-one
CID 30387572
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 55483698
(3-methylpiperidin-1-yl)-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 43935180

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothiolan-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (1,1-dioxothiolan-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone (CID 55462299) is (1,1-dioxothiolan-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (1,1-dioxothiolan-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (1,1-dioxothiolan-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone is O=C(C1CCS(=O)(=O)C1)N1CCN(Cc2nc(-c3cccs3)no2)CC1.
What is the InChIKey of (1,1-dioxothiolan-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is PVDOSTJEWWWNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S2/c21-16(12-3-9-26(22,23)11-12)20-6-4-19(5-7-20)10-14-17-15(18-24-14)13-2-1-8-25-13/h1-2,8,12H,3-7,9-11H2.
What are the key properties of (1,1-dioxothiolan-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?
(1,1-dioxothiolan-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 396.49 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothiolan-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55462299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).