2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide

C13H16N4OS2 — CID 840136

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C13H16N4OS2/c1-3-9-6-4-5-8(2)11(9)15-10(18)7-19-13-17-16-12(14)20-13/h4-6H,3,7H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyMZTYAVVWCUVWPU-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.72
Rot. Bonds5

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 840136) has the molecular formula C13H16N4OS2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID840136
Molecular FormulaC13H16N4OS2
Molecular Weight308.43 g/mol
Exact Mass308.08
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C13H16N4OS2/c1-3-9-6-4-5-8(2)11(9)15-10(18)7-19-13-17-16-12(14)20-13/h4-6H,3,7H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyMZTYAVVWCUVWPU-UHFFFAOYSA-N
XLogP2.72
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide (CID 840136) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is MZTYAVVWCUVWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS2/c1-3-9-6-4-5-8(2)11(9)15-10(18)7-19-13-17-16-12(14)20-13/h4-6H,3,7H2,1-2H3,(H2,14,16)(H,15,18).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 308.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 840136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).