N-(4-amino-2-methylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

C13H16N4O2S — CID 62255596

IUPACN-(4-amino-2-methylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESCc1nnc(SCCC(=O)Nc2ccc(N)cc2C)o1
InChIInChI=1S/C13H16N4O2S/c1-8-7-10(14)3-4-11(8)15-12(18)5-6-20-13-17-16-9(2)19-13/h3-4,7H,5-6,14H2,1-2H3,(H,15,18)
InChIKeyAKQAUCQSJLAZFA-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.39
Rot. Bonds5

About N-(4-amino-2-methylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

N-(4-amino-2-methylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (PubChem CID 62255596) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
PubChem CID62255596
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-(4-amino-2-methylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESCc1nnc(SCCC(=O)Nc2ccc(N)cc2C)o1
InChIInChI=1S/C13H16N4O2S/c1-8-7-10(14)3-4-11(8)15-12(18)5-6-20-13-17-16-9(2)19-13/h3-4,7H,5-6,14H2,1-2H3,(H,15,18)
InChIKeyAKQAUCQSJLAZFA-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
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

N-(4-amino-2-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 62254699
N-(5-amino-2-fluorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 62255600
N-(4-amino-2,6-dichlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 62255780
N-(4-amino-2-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 29034745
N-(4-amino-2-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106922198
N-(4-amino-2-methylphenyl)-3-(3-hydroxybutan-2-ylsulfanyl)propanamide
CID 107770540
N-(4-amino-2-methylphenyl)-4-propan-2-ylsulfanylbutanamide
CID 60884711
N-(5-amino-2-fluorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106922276
N-(4-amino-2-methylphenyl)propanamide
CID 839309
N-(4-amino-2-methylphenyl)-4-pyrimidin-4-ylsulfanylbutanamide
CID 63695851
N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride
CID 120568294
N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63951302

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (CID 62255596) is N-(4-amino-2-methylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is Cc1nnc(SCCC(=O)Nc2ccc(N)cc2C)o1.
What is the InChIKey of N-(4-amino-2-methylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is AKQAUCQSJLAZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-8-7-10(14)3-4-11(8)15-12(18)5-6-20-13-17-16-9(2)19-13/h3-4,7H,5-6,14H2,1-2H3,(H,15,18).
What are the key properties of N-(4-amino-2-methylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
N-(4-amino-2-methylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 292.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 62255596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).