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

C14H18N4O2S — CID 79126720

IUPAC2-(2-amino-5-methylphenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1ccc(N)c(SCC(=O)Nc2nnc(C(C)C)o2)c1
InChIInChI=1S/C14H18N4O2S/c1-8(2)13-17-18-14(20-13)16-12(19)7-21-11-6-9(3)4-5-10(11)15/h4-6,8H,7,15H2,1-3H3,(H,16,18,19)
InChIKeyAZDSFRYMDYLINY-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.81
Rot. Bonds5

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

2-(2-amino-5-methylphenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 79126720) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(2-amino-5-methylphenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-amino-5-methylphenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID79126720
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-(2-amino-5-methylphenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1ccc(N)c(SCC(=O)Nc2nnc(C(C)C)o2)c1
InChIInChI=1S/C14H18N4O2S/c1-8(2)13-17-18-14(20-13)16-12(19)7-21-11-6-9(3)4-5-10(11)15/h4-6,8H,7,15H2,1-3H3,(H,16,18,19)
InChIKeyAZDSFRYMDYLINY-UHFFFAOYSA-N
XLogP2.81
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.81
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-aminophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 79133327
2-(2-amino-5-methylphenyl)sulfanyl-N-(3-methylbutyl)acetamide
CID 79142633
2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79126902
2-(2-amino-5-methylphenyl)sulfanylacetamide
CID 79142056
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 79127095
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 79126919
2-(2-amino-5-methylphenyl)sulfanyl-N-ethylacetamide
CID 79142549
2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 43068228
2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 79128105
2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 52582273
2-(2-amino-5-methylphenyl)sulfanyl-N-tert-butylacetamide
CID 79142290

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methylphenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-(2-amino-5-methylphenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 79126720) is 2-(2-amino-5-methylphenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-amino-5-methylphenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-amino-5-methylphenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide is Cc1ccc(N)c(SCC(=O)Nc2nnc(C(C)C)o2)c1.
What is the InChIKey of 2-(2-amino-5-methylphenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is AZDSFRYMDYLINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-8(2)13-17-18-14(20-13)16-12(19)7-21-11-6-9(3)4-5-10(11)15/h4-6,8H,7,15H2,1-3H3,(H,16,18,19).
What are the key properties of 2-(2-amino-5-methylphenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
2-(2-amino-5-methylphenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 306.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methylphenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 79126720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).