2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide

C8H13N3O2S — CID 51432520

IUPAC2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
SMILESCc1nnc(SCC(=O)NC(C)C)o1
InChIInChI=1S/C8H13N3O2S/c1-5(2)9-7(12)4-14-8-11-10-6(3)13-8/h5H,4H2,1-3H3,(H,9,12)
InChIKeyPDXTWRQOTNOZMG-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.99
Rot. Bonds4

About 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide

2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide (PubChem CID 51432520) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
PubChem CID51432520
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
SMILESCc1nnc(SCC(=O)NC(C)C)o1
InChIInChI=1S/C8H13N3O2S/c1-5(2)9-7(12)4-14-8-11-10-6(3)13-8/h5H,4H2,1-3H3,(H,9,12)
InChIKeyPDXTWRQOTNOZMG-UHFFFAOYSA-N
XLogP0.99
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 110693895
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 9373833
N-[1-(2,4-difluorophenyl)ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 42903005
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 131896793
N-(3-methylbutan-2-yl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 42932674
N-[[5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502104
methyl 2-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate
CID 62255417
4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanamide
CID 55144942
1-cyclohexyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 115576325
ethyl 5-[2-oxo-2-(pentan-2-ylamino)ethyl]sulfanyl-1,3,4-oxadiazole-2-carboxylate
CID 116699893
N-(5-bromo-2-pyridinyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 5027984
methyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanoate
CID 63033462

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide (CID 51432520) is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide is Cc1nnc(SCC(=O)NC(C)C)o1.
What is the InChIKey of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide?
The InChIKey is PDXTWRQOTNOZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-5(2)9-7(12)4-14-8-11-10-6(3)13-8/h5H,4H2,1-3H3,(H,9,12).
What are the key properties of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide?
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide has a molecular weight of 215.28 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 51432520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).