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

C14H20N6O2S — CID 95279659

IUPAC2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1noc([C@@H](C)N2CCN(CC(=O)Nc3nccs3)CC2)n1
InChIInChI=1S/C14H20N6O2S/c1-10(13-16-11(2)18-22-13)20-6-4-19(5-7-20)9-12(21)17-14-15-3-8-23-14/h3,8,10H,4-7,9H2,1-2H3,(H,15,17,21)/t10-/m1/s1
InChIKeyHPIGHIBECQTIIH-SNVBAGLBSA-N
MW336.42 g/mol
LogP1.15
Rot. Bonds5

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

2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 95279659) has the molecular formula C14H20N6O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID95279659
Molecular FormulaC14H20N6O2S
Molecular Weight336.42 g/mol
Exact Mass336.14
IUPAC Name2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1noc([C@@H](C)N2CCN(CC(=O)Nc3nccs3)CC2)n1
InChIInChI=1S/C14H20N6O2S/c1-10(13-16-11(2)18-22-13)20-6-4-19(5-7-20)9-12(21)17-14-15-3-8-23-14/h3,8,10H,4-7,9H2,1-2H3,(H,15,17,21)/t10-/m1/s1
InChIKeyHPIGHIBECQTIIH-SNVBAGLBSA-N
XLogP1.15
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 42948005
N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide
CID 95278550
2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 95158999
N-cyclopentyl-3-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanamide
CID 95284643
2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 46406315
2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 146131791
N-cyclohexyl-N-methyl-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide
CID 95158985
3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95275038
3-methyl-5-[1-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 154747097
3-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 50975443
N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 171704376
(2R)-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95277625

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 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) is 2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is Cc1noc([C@@H](C)N2CCN(CC(=O)Nc3nccs3)CC2)n1.
What is the InChIKey of 2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is HPIGHIBECQTIIH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N6O2S/c1-10(13-16-11(2)18-22-13)20-6-4-19(5-7-20)9-12(21)17-14-15-3-8-23-14/h3,8,10H,4-7,9H2,1-2H3,(H,15,17,21)/t10-/m1/s1.
What are the key properties of 2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 336.42 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 95279659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).