6-ethyl-6-methylsulfanyl-5,8-dihydroimidazo[2,1-c][1,4]oxazine

C9H14N2OS — CID 146338772

IUPAC6-ethyl-6-methylsulfanyl-5,8-dihydroimidazo[2,1-c][1,4]oxazine
SMILESCCC1(SC)Cn2ccnc2CO1
InChIInChI=1S/C9H14N2OS/c1-3-9(13-2)7-11-5-4-10-8(11)6-12-9/h4-5H,3,6-7H2,1-2H3
InChIKeyCKETXKQYMHGKMW-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.88
Rot. Bonds2

About 6-ethyl-6-methylsulfanyl-5,8-dihydroimidazo[2,1-c][1,4]oxazine

6-ethyl-6-methylsulfanyl-5,8-dihydroimidazo[2,1-c][1,4]oxazine (PubChem CID 146338772) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 6-ethyl-6-methylsulfanyl-5,8-dihydroimidazo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name6-ethyl-6-methylsulfanyl-5,8-dihydroimidazo[2,1-c][1,4]oxazine
PubChem CID146338772
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name6-ethyl-6-methylsulfanyl-5,8-dihydroimidazo[2,1-c][1,4]oxazine
SMILESCCC1(SC)Cn2ccnc2CO1
InChIInChI=1S/C9H14N2OS/c1-3-9(13-2)7-11-5-4-10-8(11)6-12-9/h4-5H,3,6-7H2,1-2H3
InChIKeyCKETXKQYMHGKMW-UHFFFAOYSA-N
XLogP1.88
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-methylsulfanyl-5,8-dihydroimidazo[2,1-c][1,4]oxazine?
The IUPAC name of 6-ethyl-6-methylsulfanyl-5,8-dihydroimidazo[2,1-c][1,4]oxazine (CID 146338772) is 6-ethyl-6-methylsulfanyl-5,8-dihydroimidazo[2,1-c][1,4]oxazine.
What is the SMILES notation for 6-ethyl-6-methylsulfanyl-5,8-dihydroimidazo[2,1-c][1,4]oxazine?
The canonical SMILES for 6-ethyl-6-methylsulfanyl-5,8-dihydroimidazo[2,1-c][1,4]oxazine is CCC1(SC)Cn2ccnc2CO1.
What is the InChIKey of 6-ethyl-6-methylsulfanyl-5,8-dihydroimidazo[2,1-c][1,4]oxazine?
The InChIKey is CKETXKQYMHGKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-3-9(13-2)7-11-5-4-10-8(11)6-12-9/h4-5H,3,6-7H2,1-2H3.
What are the key properties of 6-ethyl-6-methylsulfanyl-5,8-dihydroimidazo[2,1-c][1,4]oxazine?
6-ethyl-6-methylsulfanyl-5,8-dihydroimidazo[2,1-c][1,4]oxazine has a molecular weight of 198.29 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-methylsulfanyl-5,8-dihydroimidazo[2,1-c][1,4]oxazine is sourced from PubChem (CID 146338772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).