2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide

C15H15N7O2S — CID 9103607

IUPAC2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESNn1c(SCC(=O)Nc2nnc(-c3ccccc3)o2)nnc1C1CC1
InChIInChI=1S/C15H15N7O2S/c16-22-12(9-6-7-9)18-21-15(22)25-8-11(23)17-14-20-19-13(24-14)10-4-2-1-3-5-10/h1-5,9H,6-8,16H2,(H,17,20,23)
InChIKeyBVQQXMUOMVICGF-UHFFFAOYSA-N
MW357.40 g/mol
LogP1.65
Rot. Bonds6

About 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide

2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 9103607) has the molecular formula C15H15N7O2S and a molecular weight of 357.40 g/mol. Its IUPAC name is 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID9103607
Molecular FormulaC15H15N7O2S
Molecular Weight357.40 g/mol
Exact Mass357.10
IUPAC Name2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESNn1c(SCC(=O)Nc2nnc(-c3ccccc3)o2)nnc1C1CC1
InChIInChI=1S/C15H15N7O2S/c16-22-12(9-6-7-9)18-21-15(22)25-8-11(23)17-14-20-19-13(24-14)10-4-2-1-3-5-10/h1-5,9H,6-8,16H2,(H,17,20,23)
InChIKeyBVQQXMUOMVICGF-UHFFFAOYSA-N
XLogP1.65
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide (CID 9103607) is 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide is Nn1c(SCC(=O)Nc2nnc(-c3ccccc3)o2)nnc1C1CC1.
What is the InChIKey of 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is BVQQXMUOMVICGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O2S/c16-22-12(9-6-7-9)18-21-15(22)25-8-11(23)17-14-20-19-13(24-14)10-4-2-1-3-5-10/h1-5,9H,6-8,16H2,(H,17,20,23).
What are the key properties of 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?
2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 357.40 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 9103607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).