2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide

C13H10N4OS — CID 106922776

IUPAC2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(Sc2ncco2)nc2ccccc12
InChIInChI=1S/C13H10N4OS/c14-12(15)9-7-11(19-13-16-5-6-18-13)17-10-4-2-1-3-8(9)10/h1-7H,(H3,14,15)
InChIKeyNLMZNZMPJRVBGM-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.66
Rot. Bonds3

About 2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide

2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide (PubChem CID 106922776) has the molecular formula C13H10N4OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide.

Molecular Properties

Compound Name2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide
PubChem CID106922776
Molecular FormulaC13H10N4OS
Molecular Weight270.32 g/mol
Exact Mass270.06
IUPAC Name2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(Sc2ncco2)nc2ccccc12
InChIInChI=1S/C13H10N4OS/c14-12(15)9-7-11(19-13-16-5-6-18-13)17-10-4-2-1-3-8(9)10/h1-7H,(H3,14,15)
InChIKeyNLMZNZMPJRVBGM-UHFFFAOYSA-N
XLogP2.66
TPSA88.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide?
The IUPAC name of 2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide (CID 106922776) is 2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide.
What is the SMILES notation for 2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide?
The canonical SMILES for 2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide is [H]/N=C(\N)c1cc(Sc2ncco2)nc2ccccc12.
What is the InChIKey of 2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide?
The InChIKey is NLMZNZMPJRVBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS/c14-12(15)9-7-11(19-13-16-5-6-18-13)17-10-4-2-1-3-8(9)10/h1-7H,(H3,14,15).
What are the key properties of 2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide?
2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide has a molecular weight of 270.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-ylsulfanyl)quinoline-4-carboximidamide is sourced from PubChem (CID 106922776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).