2-(3-aminophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide

C13H16N4O2S — CID 79133327

IUPAC2-(3-aminophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CSc2cccc(N)c2)o1
InChIInChI=1S/C13H16N4O2S/c1-8(2)12-16-17-13(19-12)15-11(18)7-20-10-5-3-4-9(14)6-10/h3-6,8H,7,14H2,1-2H3,(H,15,17,18)
InChIKeyIETCWVKXMUEFDY-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.51
Rot. Bonds5

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

2-(3-aminophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 79133327) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-(3-aminophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID79133327
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2-(3-aminophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CSc2cccc(N)c2)o1
InChIInChI=1S/C13H16N4O2S/c1-8(2)12-16-17-13(19-12)15-11(18)7-20-10-5-3-4-9(14)6-10/h3-6,8H,7,14H2,1-2H3,(H,15,17,18)
InChIKeyIETCWVKXMUEFDY-UHFFFAOYSA-N
XLogP2.51
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 79126696
2-(3-aminophenoxy)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 61034820
2-(2-amino-5-methylphenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 79126720
2-(3-aminophenyl)sulfanyl-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 79134132
2-(3-aminophenyl)sulfanyl-N-(3-propan-2-yloxadiazol-3-ium-5-yl)acetamide
CID 53294651
2-(3-aminophenyl)sulfanyl-N-phenylacetamide
CID 18894236
2-(3-aminophenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18894676
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 66104454
2-(3-aminophenyl)sulfanyl-N-pentan-3-ylacetamide
CID 79134330
methyl N-[2-(3-aminophenyl)sulfanylacetyl]carbamate
CID 79133966
2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 43068208
2-(3-aminophenyl)sulfanylacetamide
CID 19300065

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-(3-aminophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 79133327) is 2-(3-aminophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)CSc2cccc(N)c2)o1.
What is the InChIKey of 2-(3-aminophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is IETCWVKXMUEFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-8(2)12-16-17-13(19-12)15-11(18)7-20-10-5-3-4-9(14)6-10/h3-6,8H,7,14H2,1-2H3,(H,15,17,18).
What are the key properties of 2-(3-aminophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
2-(3-aminophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 292.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 79133327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).