2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C17H23N5O2S — CID 53160924

IUPAC2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCc1nc(-c2cccnc2SCC(=O)N2CCN(C(C)C)CC2)no1
InChIInChI=1S/C17H23N5O2S/c1-12(2)21-7-9-22(10-8-21)15(23)11-25-17-14(5-4-6-18-17)16-19-13(3)24-20-16/h4-6,12H,7-11H2,1-3H3
InChIKeyYGVIEGOQGQBSHE-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.08
Rot. Bonds5

About 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 53160924) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID53160924
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCc1nc(-c2cccnc2SCC(=O)N2CCN(C(C)C)CC2)no1
InChIInChI=1S/C17H23N5O2S/c1-12(2)21-7-9-22(10-8-21)15(23)11-25-17-14(5-4-6-18-17)16-19-13(3)24-20-16/h4-6,12H,7-11H2,1-3H3
InChIKeyYGVIEGOQGQBSHE-UHFFFAOYSA-N
XLogP2.08
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-pentan-3-ylpiperazin-1-yl)ethanone
CID 53160929
2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53160903
2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 53160901
N-ethyl-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53160899
N-(3-fluoro-4-methoxyphenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53160891
2-[[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]acetic acid
CID 97032554
2-[(3-amino-2-pyridinyl)sulfanyl]-1-(azepan-1-yl)ethanone
CID 43300790
(4-cyclohexylpiperazin-1-yl)-[1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-yl]methanone
CID 53166142
2-(4-methoxyphenyl)sulfanyl-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 78870624
N-[1-(4-fluorophenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166154
2-[3-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 55578891
2-isoquinolin-1-ylsulfanyl-1-(4-methylpiperazin-1-yl)ethanone
CID 4279123

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 53160924) is 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is Cc1nc(-c2cccnc2SCC(=O)N2CCN(C(C)C)CC2)no1.
What is the InChIKey of 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is YGVIEGOQGQBSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-12(2)21-7-9-22(10-8-21)15(23)11-25-17-14(5-4-6-18-17)16-19-13(3)24-20-16/h4-6,12H,7-11H2,1-3H3.
What are the key properties of 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 361.47 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 53160924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).