N-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide

C5H7N3O2S — CID 45122976

IUPACN-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide
SMILESCCC(=O)Nc1n[nH]c(=S)o1
InChIInChI=1S/C5H7N3O2S/c1-2-3(9)6-4-7-8-5(11)10-4/h2H2,1H3,(H,8,11)(H,6,7,9)
InChIKeyAPOWRZXXBWYFGX-UHFFFAOYSA-N
MW173.20 g/mol
LogP1.08
Rot. Bonds2

About N-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide

N-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide (PubChem CID 45122976) has the molecular formula C5H7N3O2S and a molecular weight of 173.20 g/mol. Its IUPAC name is N-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide
PubChem CID45122976
Molecular FormulaC5H7N3O2S
Molecular Weight173.20 g/mol
Exact Mass173.03
IUPAC NameN-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide
SMILESCCC(=O)Nc1n[nH]c(=S)o1
InChIInChI=1S/C5H7N3O2S/c1-2-3(9)6-4-7-8-5(11)10-4/h2H2,1H3,(H,8,11)(H,6,7,9)
InChIKeyAPOWRZXXBWYFGX-UHFFFAOYSA-N
XLogP1.08
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide (CID 45122976) is N-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide is CCC(=O)Nc1n[nH]c(=S)o1.
What is the InChIKey of N-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide?
The InChIKey is APOWRZXXBWYFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S/c1-2-3(9)6-4-7-8-5(11)10-4/h2H2,1H3,(H,8,11)(H,6,7,9).
What are the key properties of N-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide?
N-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide has a molecular weight of 173.20 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 45122976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).