2-propan-2-yl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole

C14H20N4O3S2 — CID 110395954

IUPAC2-propan-2-yl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCC(C)c1nnc(CN2CCN(S(=O)(=O)c3cccs3)CC2)o1
InChIInChI=1S/C14H20N4O3S2/c1-11(2)14-16-15-12(21-14)10-17-5-7-18(8-6-17)23(19,20)13-4-3-9-22-13/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyPYWQUVQWGINREA-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.76
Rot. Bonds5

About 2-propan-2-yl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole

2-propan-2-yl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 110395954) has the molecular formula C14H20N4O3S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-propan-2-yl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID110395954
Molecular FormulaC14H20N4O3S2
Molecular Weight356.47 g/mol
Exact Mass356.10
IUPAC Name2-propan-2-yl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCC(C)c1nnc(CN2CCN(S(=O)(=O)c3cccs3)CC2)o1
InChIInChI=1S/C14H20N4O3S2/c1-11(2)14-16-15-12(21-14)10-17-5-7-18(8-6-17)23(19,20)13-4-3-9-22-13/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyPYWQUVQWGINREA-UHFFFAOYSA-N
XLogP1.76
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 110395943
2-[[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 110395949
2-[[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 110395948
1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 52997928
2-thiophen-2-yl-5-[(1R)-1-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]-1,3,4-oxadiazole
CID 9036537
2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 78787636
2-methyl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole
CID 8686777
1-[4-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 78788137
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 51108336
2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 56787377
2-[4-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol
CID 121053278
1-(2-chloroethyl)-4-thiophen-2-ylsulfonyl-1,4-diazepane
CID 63397546

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-propan-2-yl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (CID 110395954) is 2-propan-2-yl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-propan-2-yl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-propan-2-yl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is CC(C)c1nnc(CN2CCN(S(=O)(=O)c3cccs3)CC2)o1.
What is the InChIKey of 2-propan-2-yl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is PYWQUVQWGINREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S2/c1-11(2)14-16-15-12(21-14)10-17-5-7-18(8-6-17)23(19,20)13-4-3-9-22-13/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of 2-propan-2-yl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
2-propan-2-yl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 356.47 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 110395954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).