N-[3-(dimethylamino)oxadiazol-3-ium-5-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide

C10H15N6O2S+ — CID 53294405

IUPACN-[3-(dimethylamino)oxadiazol-3-ium-5-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCN(C)[n+]1cc(NC(=O)CSc2nccn2C)on1
InChIInChI=1S/C10H14N6O2S/c1-14(2)16-6-9(18-13-16)12-8(17)7-19-10-11-4-5-15(10)3/h4-6H,7H2,1-3H3/p+1
InChIKeyFWNUQQGPAILQLO-UHFFFAOYSA-O
MW283.34 g/mol
LogP-0.38
Rot. Bonds5

About N-[3-(dimethylamino)oxadiazol-3-ium-5-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-[3-(dimethylamino)oxadiazol-3-ium-5-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 53294405) has the molecular formula C10H15N6O2S+ and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[3-(dimethylamino)oxadiazol-3-ium-5-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)oxadiazol-3-ium-5-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID53294405
Molecular FormulaC10H15N6O2S+
Molecular Weight283.34 g/mol
Exact Mass283.10
IUPAC NameN-[3-(dimethylamino)oxadiazol-3-ium-5-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCN(C)[n+]1cc(NC(=O)CSc2nccn2C)on1
InChIInChI=1S/C10H14N6O2S/c1-14(2)16-6-9(18-13-16)12-8(17)7-19-10-11-4-5-15(10)3/h4-6H,7H2,1-3H3/p+1
InChIKeyFWNUQQGPAILQLO-UHFFFAOYSA-O
XLogP-0.38
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)oxadiazol-3-ium-5-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[3-(dimethylamino)oxadiazol-3-ium-5-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 53294405) is N-[3-(dimethylamino)oxadiazol-3-ium-5-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[3-(dimethylamino)oxadiazol-3-ium-5-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[3-(dimethylamino)oxadiazol-3-ium-5-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide is CN(C)[n+]1cc(NC(=O)CSc2nccn2C)on1.
What is the InChIKey of N-[3-(dimethylamino)oxadiazol-3-ium-5-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is FWNUQQGPAILQLO-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H14N6O2S/c1-14(2)16-6-9(18-13-16)12-8(17)7-19-10-11-4-5-15(10)3/h4-6H,7H2,1-3H3/p+1.
What are the key properties of N-[3-(dimethylamino)oxadiazol-3-ium-5-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-[3-(dimethylamino)oxadiazol-3-ium-5-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 283.34 g/mol, XLogP of -0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)oxadiazol-3-ium-5-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 53294405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).