3-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-1,3-oxazolidin-2-id-4-one

C13H17N4O3S- — CID 131719563

IUPAC3-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-1,3-oxazolidin-2-id-4-one
SMILESCN1CCC=C(c2nsnc2OCCN2[CH-]OCC2=O)C1
InChIInChI=1S/C13H17N4O3S/c1-16-4-2-3-10(7-16)12-13(15-21-14-12)20-6-5-17-9-19-8-11(17)18/h3,9H,2,4-8H2,1H3/q-1
InChIKeyRXGSCYOFFPYVMG-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.61
Rot. Bonds5

About 3-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-1,3-oxazolidin-2-id-4-one

3-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-1,3-oxazolidin-2-id-4-one (PubChem CID 131719563) has the molecular formula C13H17N4O3S- and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-1,3-oxazolidin-2-id-4-one.

Molecular Properties

Compound Name3-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-1,3-oxazolidin-2-id-4-one
PubChem CID131719563
Molecular FormulaC13H17N4O3S-
Molecular Weight309.37 g/mol
Exact Mass309.10
IUPAC Name3-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-1,3-oxazolidin-2-id-4-one
SMILESCN1CCC=C(c2nsnc2OCCN2[CH-]OCC2=O)C1
InChIInChI=1S/C13H17N4O3S/c1-16-4-2-3-10(7-16)12-13(15-21-14-12)20-6-5-17-9-19-8-11(17)18/h3,9H,2,4-8H2,1H3/q-1
InChIKeyRXGSCYOFFPYVMG-UHFFFAOYSA-N
XLogP0.61
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-1,3-oxazolidin-2-id-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-1,3-oxazolidin-2-id-4-one?
The IUPAC name of 3-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-1,3-oxazolidin-2-id-4-one (CID 131719563) is 3-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-1,3-oxazolidin-2-id-4-one.
What is the SMILES notation for 3-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-1,3-oxazolidin-2-id-4-one?
The canonical SMILES for 3-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-1,3-oxazolidin-2-id-4-one is CN1CCC=C(c2nsnc2OCCN2[CH-]OCC2=O)C1.
What is the InChIKey of 3-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-1,3-oxazolidin-2-id-4-one?
The InChIKey is RXGSCYOFFPYVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N4O3S/c1-16-4-2-3-10(7-16)12-13(15-21-14-12)20-6-5-17-9-19-8-11(17)18/h3,9H,2,4-8H2,1H3/q-1.
What are the key properties of 3-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-1,3-oxazolidin-2-id-4-one?
3-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-1,3-oxazolidin-2-id-4-one has a molecular weight of 309.37 g/mol, XLogP of 0.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethyl]-1,3-oxazolidin-2-id-4-one is sourced from PubChem (CID 131719563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).