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

C9H15N3O2S — CID 4612970

IUPACN-ethyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCCNC(=O)CSc1nnc(C(C)C)o1
InChIInChI=1S/C9H15N3O2S/c1-4-10-7(13)5-15-9-12-11-8(14-9)6(2)3/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyDWIDCIXKOJCTSJ-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.42
Rot. Bonds5

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

N-ethyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 4612970) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-ethyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID4612970
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN-ethyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCCNC(=O)CSc1nnc(C(C)C)o1
InChIInChI=1S/C9H15N3O2S/c1-4-10-7(13)5-15-9-12-11-8(14-9)6(2)3/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyDWIDCIXKOJCTSJ-UHFFFAOYSA-N
XLogP1.42
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-((5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl)thio)-N,N-diethylacetamide hydrochloride
CID 6602734
N-cyclopropyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 40118597
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylacetamide
CID 4784901
2-{[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N,N-dimethylacetamide
CID 663215
2-{[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N,N-diethylacetamide
CID 663217
N-[(1R)-2-amino-1-hydroxyethyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 146048110
2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 40097576
N-[3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]-2,2,2-trifluoroacetamide
CID 71914583
2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 133988741
2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 133988753
2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 9117704
N-cycloheptyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 40097562

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-ethyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 4612970) is N-ethyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-ethyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-ethyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is CCNC(=O)CSc1nnc(C(C)C)o1.
What is the InChIKey of N-ethyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is DWIDCIXKOJCTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-4-10-7(13)5-15-9-12-11-8(14-9)6(2)3/h6H,4-5H2,1-3H3,(H,10,13).
What are the key properties of N-ethyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-ethyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 229.30 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 4612970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).