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

C16H16N4O2S — CID 110223737

IUPAC2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide
SMILESCc1nonc1CC(=O)NC(Cc1cccs1)c1ccccn1
InChIInChI=1S/C16H16N4O2S/c1-11-14(20-22-19-11)10-16(21)18-15(9-12-5-4-8-23-12)13-6-2-3-7-17-13/h2-8,15H,9-10H2,1H3,(H,18,21)
InChIKeyPLYKBQJIICZFDD-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.48
Rot. Bonds6

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

2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide (PubChem CID 110223737) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide
PubChem CID110223737
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide
SMILESCc1nonc1CC(=O)NC(Cc1cccs1)c1ccccn1
InChIInChI=1S/C16H16N4O2S/c1-11-14(20-22-19-11)10-16(21)18-15(9-12-5-4-8-23-12)13-6-2-3-7-17-13/h2-8,15H,9-10H2,1H3,(H,18,21)
InChIKeyPLYKBQJIICZFDD-UHFFFAOYSA-N
XLogP2.48
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-2-thiophen-2-ylacetamide
CID 125441536
1-methyl-6-oxo-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 110223746
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide
CID 110223740
N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 96550885
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-2-thiophen-3-ylacetamide
CID 125446493
(1R)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401851
2-chloro-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]acetamide;hydrochloride
CID 154856536
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]butanamide
CID 56791179
2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
CID 92603142
N-[(1R)-1-pyridin-2-ylethyl]thiophene-2-carboxamide
CID 35940231
N-(2-chloro-1-phenylethyl)-2-thiophen-2-ylacetamide
CID 113272323
N-(2-methoxy-1-pyridin-2-ylethyl)-2-(4-phenylphenyl)acetamide
CID 24765018

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide (CID 110223737) is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide is Cc1nonc1CC(=O)NC(Cc1cccs1)c1ccccn1.
What is the InChIKey of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide?
The InChIKey is PLYKBQJIICZFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-11-14(20-22-19-11)10-16(21)18-15(9-12-5-4-8-23-12)13-6-2-3-7-17-13/h2-8,15H,9-10H2,1H3,(H,18,21).
What are the key properties of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide?
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide has a molecular weight of 328.40 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 110223737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).