2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide

C16H23N5O2S — CID 110622460

IUPAC2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
SMILESCc1nc(CC(=O)NCC(c2cccs2)N2CCN(C)CC2)no1
InChIInChI=1S/C16H23N5O2S/c1-12-18-15(19-23-12)10-16(22)17-11-13(14-4-3-9-24-14)21-7-5-20(2)6-8-21/h3-4,9,13H,5-8,10-11H2,1-2H3,(H,17,22)
InChIKeyYUYCVNKVRCFHQL-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.09
Rot. Bonds6

About 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide

2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide (PubChem CID 110622460) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
PubChem CID110622460
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
SMILESCc1nc(CC(=O)NCC(c2cccs2)N2CCN(C)CC2)no1
InChIInChI=1S/C16H23N5O2S/c1-12-18-15(19-23-12)10-16(22)17-11-13(14-4-3-9-24-14)21-7-5-20(2)6-8-21/h3-4,9,13H,5-8,10-11H2,1-2H3,(H,17,22)
InChIKeyYUYCVNKVRCFHQL-UHFFFAOYSA-N
XLogP1.09
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 110622459
2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 51179491
2-methoxy-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 94670619
2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 94006411
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110620748
N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110622104
5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide
CID 47007671
N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboxamide
CID 93159855
3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]propanamide
CID 110622453
5-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51075751
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-4-phenylbutanamide
CID 51728290
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2,2-diphenylacetamide
CID 8798410

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide (CID 110622460) is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide is Cc1nc(CC(=O)NCC(c2cccs2)N2CCN(C)CC2)no1.
What is the InChIKey of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide?
The InChIKey is YUYCVNKVRCFHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-12-18-15(19-23-12)10-16(22)17-11-13(14-4-3-9-24-14)21-7-5-20(2)6-8-21/h3-4,9,13H,5-8,10-11H2,1-2H3,(H,17,22).
What are the key properties of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide?
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide has a molecular weight of 349.46 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 110622460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).