4,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazinan-2-imine

C11H17N3OS — CID 136984957

IUPAC4,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazinan-2-imine
SMILESCc1cc(C/N=C2/NC(C)(C)CCS2)no1
InChIInChI=1S/C11H17N3OS/c1-8-6-9(14-15-8)7-12-10-13-11(2,3)4-5-16-10/h6H,4-5,7H2,1-3H3,(H,12,13)
InChIKeyQEDXZQHUPQOPIG-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.34
Rot. Bonds2

About 4,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazinan-2-imine

4,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazinan-2-imine (PubChem CID 136984957) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 4,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazinan-2-imine
PubChem CID136984957
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name4,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazinan-2-imine
SMILESCc1cc(C/N=C2/NC(C)(C)CCS2)no1
InChIInChI=1S/C11H17N3OS/c1-8-6-9(14-15-8)7-12-10-13-11(2,3)4-5-16-10/h6H,4-5,7H2,1-3H3,(H,12,13)
InChIKeyQEDXZQHUPQOPIG-UHFFFAOYSA-N
XLogP2.34
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazinan-2-imine?
The IUPAC name of 4,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazinan-2-imine (CID 136984957) is 4,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazinan-2-imine.
What is the SMILES notation for 4,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazinan-2-imine?
The canonical SMILES for 4,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazinan-2-imine is Cc1cc(C/N=C2/NC(C)(C)CCS2)no1.
What is the InChIKey of 4,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazinan-2-imine?
The InChIKey is QEDXZQHUPQOPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-6-9(14-15-8)7-12-10-13-11(2,3)4-5-16-10/h6H,4-5,7H2,1-3H3,(H,12,13).
What are the key properties of 4,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazinan-2-imine?
4,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazinan-2-imine has a molecular weight of 239.34 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazinan-2-imine is sourced from PubChem (CID 136984957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).