1-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one

C10H11N3O2S — CID 82527091

IUPAC1-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one
SMILESCC(C)n1cccc(-c2n[nH]c(=S)o2)c1=O
InChIInChI=1S/C10H11N3O2S/c1-6(2)13-5-3-4-7(9(13)14)8-11-12-10(16)15-8/h3-6H,1-2H3,(H,12,16)
InChIKeyLJZHTGIGIWCIHT-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.14
Rot. Bonds2

About 1-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one

1-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one (PubChem CID 82527091) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 1-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one
PubChem CID82527091
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name1-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one
SMILESCC(C)n1cccc(-c2n[nH]c(=S)o2)c1=O
InChIInChI=1S/C10H11N3O2S/c1-6(2)13-5-3-4-7(9(13)14)8-11-12-10(16)15-8/h3-6H,1-2H3,(H,12,16)
InChIKeyLJZHTGIGIWCIHT-UHFFFAOYSA-N
XLogP2.14
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yl-3-(4-propyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one
CID 82527121
6-tert-butyl-1-(2-methylpropyl)-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one
CID 82523649
1-(3-methoxypropyl)-6-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one
CID 82524029
6-propan-2-yl-2-propyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridazin-3-one
CID 82443294
3-[2-(methylamino)-1,3-thiazol-4-yl]-1-propan-2-ylpyridin-2-one
CID 82527106
2-phenyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-1H-pyrazol-5-one
CID 139220528
5-(5-methyl-1,2-oxazol-4-yl)-3H-1,3,4-oxadiazole-2-thione
CID 43148570
6-methyl-1-(oxolan-2-ylmethyl)-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one
CID 82524678
1-butan-2-yl-3-[4-(2-methylpropyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]pyridin-2-one
CID 82526822
5-(5-chloro-2-methylphenyl)-3H-1,3,4-oxadiazole-2-thione
CID 82882932
5-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82514693
2-butyl-6-tert-butyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridazin-3-one
CID 82443714

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one?
The IUPAC name of 1-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one (CID 82527091) is 1-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one.
What is the SMILES notation for 1-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one?
The canonical SMILES for 1-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one is CC(C)n1cccc(-c2n[nH]c(=S)o2)c1=O.
What is the InChIKey of 1-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one?
The InChIKey is LJZHTGIGIWCIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-6(2)13-5-3-4-7(9(13)14)8-11-12-10(16)15-8/h3-6H,1-2H3,(H,12,16).
What are the key properties of 1-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one?
1-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one has a molecular weight of 237.28 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one is sourced from PubChem (CID 82527091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).