3-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide

C14H20N6O2S — CID 50975443

IUPAC3-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1nc(CN2CCN(CCC(=O)Nc3nccs3)CC2)no1
InChIInChI=1S/C14H20N6O2S/c1-11-16-12(18-22-11)10-20-7-5-19(6-8-20)4-2-13(21)17-14-15-3-9-23-14/h3,9H,2,4-8,10H2,1H3,(H,15,17,21)
InChIKeyTZWKUVGAZIQGOU-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.98
Rot. Bonds6

About 3-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide

3-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 50975443) has the molecular formula C14H20N6O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 3-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID50975443
Molecular FormulaC14H20N6O2S
Molecular Weight336.42 g/mol
Exact Mass336.14
IUPAC Name3-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1nc(CN2CCN(CCC(=O)Nc3nccs3)CC2)no1
InChIInChI=1S/C14H20N6O2S/c1-11-16-12(18-22-11)10-20-7-5-19(6-8-20)4-2-13(21)17-14-15-3-9-23-14/h3,9H,2,4-8,10H2,1H3,(H,15,17,21)
InChIKeyTZWKUVGAZIQGOU-UHFFFAOYSA-N
XLogP0.98
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
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2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95279659
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3-(2-phenylmorpholin-4-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 91837781
2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 50975443) is 3-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide is Cc1nc(CN2CCN(CCC(=O)Nc3nccs3)CC2)no1.
What is the InChIKey of 3-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is TZWKUVGAZIQGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2S/c1-11-16-12(18-22-11)10-20-7-5-19(6-8-20)4-2-13(21)17-14-15-3-9-23-14/h3,9H,2,4-8,10H2,1H3,(H,15,17,21).
What are the key properties of 3-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
3-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 336.42 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 50975443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).