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

C16H22N4O2S — CID 47074695

IUPAC(5-ethyl-4-methylthiophen-2-yl)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
SMILESCCc1sc(C(=O)N2CCN(Cc3nonc3C)CC2)cc1C
InChIInChI=1S/C16H22N4O2S/c1-4-14-11(2)9-15(23-14)16(21)20-7-5-19(6-8-20)10-13-12(3)17-22-18-13/h9H,4-8,10H2,1-3H3
InChIKeyIZZTWGBXWHRBOL-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.27
Rot. Bonds4

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

(5-ethyl-4-methylthiophen-2-yl)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone (PubChem CID 47074695) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is (5-ethyl-4-methylthiophen-2-yl)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-4-methylthiophen-2-yl)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
PubChem CID47074695
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name(5-ethyl-4-methylthiophen-2-yl)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
SMILESCCc1sc(C(=O)N2CCN(Cc3nonc3C)CC2)cc1C
InChIInChI=1S/C16H22N4O2S/c1-4-14-11(2)9-15(23-14)16(21)20-7-5-19(6-8-20)10-13-12(3)17-22-18-13/h9H,4-8,10H2,1-3H3
InChIKeyIZZTWGBXWHRBOL-UHFFFAOYSA-N
XLogP2.27
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-4-methylthiophen-2-yl)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (5-ethyl-4-methylthiophen-2-yl)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone (CID 47074695) is (5-ethyl-4-methylthiophen-2-yl)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-4-methylthiophen-2-yl)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-ethyl-4-methylthiophen-2-yl)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone is CCc1sc(C(=O)N2CCN(Cc3nonc3C)CC2)cc1C.
What is the InChIKey of (5-ethyl-4-methylthiophen-2-yl)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is IZZTWGBXWHRBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-4-14-11(2)9-15(23-14)16(21)20-7-5-19(6-8-20)10-13-12(3)17-22-18-13/h9H,4-8,10H2,1-3H3.
What are the key properties of (5-ethyl-4-methylthiophen-2-yl)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone?
(5-ethyl-4-methylthiophen-2-yl)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 334.45 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-4-methylthiophen-2-yl)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 47074695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).