4,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazinan-2-imine

C9H14N4OS — CID 136690772

IUPAC4,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\Cc2ncon2)N1
InChIInChI=1S/C9H14N4OS/c1-6-3-7(2)15-9(12-6)10-4-8-11-5-14-13-8/h5-7H,3-4H2,1-2H3,(H,10,12)
InChIKeyNKFNXZCHPAGJFY-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.43
Rot. Bonds2

About 4,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazinan-2-imine

4,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazinan-2-imine (PubChem CID 136690772) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 4,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazinan-2-imine
PubChem CID136690772
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name4,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\Cc2ncon2)N1
InChIInChI=1S/C9H14N4OS/c1-6-3-7(2)15-9(12-6)10-4-8-11-5-14-13-8/h5-7H,3-4H2,1-2H3,(H,10,12)
InChIKeyNKFNXZCHPAGJFY-UHFFFAOYSA-N
XLogP1.43
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazinan-2-imine (CID 136690772) is 4,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazinan-2-imine is CC1CC(C)S/C(=N\Cc2ncon2)N1.
What is the InChIKey of 4,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazinan-2-imine?
The InChIKey is NKFNXZCHPAGJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-6-3-7(2)15-9(12-6)10-4-8-11-5-14-13-8/h5-7H,3-4H2,1-2H3,(H,10,12).
What are the key properties of 4,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazinan-2-imine?
4,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazinan-2-imine has a molecular weight of 226.30 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136690772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).