5-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole

C16H16ClN5O3S2 — CID 78832778

IUPAC5-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2nc(-c3cccnc3)no2)CC1
InChIInChI=1S/C16H16ClN5O3S2/c17-13-3-4-15(26-13)27(23,24)22-8-6-21(7-9-22)11-14-19-16(20-25-14)12-2-1-5-18-10-12/h1-5,10H,6-9,11H2
InChIKeyASWVXUXTUAPFCL-UHFFFAOYSA-N
MW425.92 g/mol
LogP2.35
Rot. Bonds5

About 5-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole

5-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 78832778) has the molecular formula C16H16ClN5O3S2 and a molecular weight of 425.92 g/mol. Its IUPAC name is 5-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID78832778
Molecular FormulaC16H16ClN5O3S2
Molecular Weight425.92 g/mol
Exact Mass425.04
IUPAC Name5-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2nc(-c3cccnc3)no2)CC1
InChIInChI=1S/C16H16ClN5O3S2/c17-13-3-4-15(26-13)27(23,24)22-8-6-21(7-9-22)11-14-19-16(20-25-14)12-2-1-5-18-10-12/h1-5,10H,6-9,11H2
InChIKeyASWVXUXTUAPFCL-UHFFFAOYSA-N
XLogP2.35
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 55477935
5-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 78835973
4-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]benzenesulfonamide
CID 78896377
3-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 86901895
3-pyridin-3-yl-5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 51312105
(4-methoxyphenyl)-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 78848111
1-morpholin-4-yl-2-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 55478105
2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 33185906
azepan-1-yl-[1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone
CID 134011136
1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3-pyridin-4-ylphenyl)methyl]-1,4-diazepane
CID 166194436
5-[[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 16608383
5-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 90642429

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 78832778) is 5-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole is O=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2nc(-c3cccnc3)no2)CC1.
What is the InChIKey of 5-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is ASWVXUXTUAPFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O3S2/c17-13-3-4-15(26-13)27(23,24)22-8-6-21(7-9-22)11-14-19-16(20-25-14)12-2-1-5-18-10-12/h1-5,10H,6-9,11H2.
What are the key properties of 5-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 425.92 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 78832778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).