(2S,6R)-2,6-dimethyl-4-(5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine;ethane

C13H22N4OS — CID 169237067

IUPAC(2S,6R)-2,6-dimethyl-4-(5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine;ethane
SMILESCC.Cc1cnc2sc(N3C[C@@H](C)O[C@@H](C)C3)nn12
InChIInChI=1S/C11H16N4OS.C2H6/c1-7-4-12-10-15(7)13-11(17-10)14-5-8(2)16-9(3)6-14;1-2/h4,8-9H,5-6H2,1-3H3;1-2H3/t8-,9+;
InChIKeyRLLVIBBFMPVFNA-UFIFRZAQSA-N
MW282.41 g/mol
LogP2.74
Rot. Bonds1

About (2S,6R)-2,6-dimethyl-4-(5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine;ethane

(2S,6R)-2,6-dimethyl-4-(5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine;ethane (PubChem CID 169237067) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-(5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine;ethane.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-(5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine;ethane
PubChem CID169237067
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name(2S,6R)-2,6-dimethyl-4-(5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine;ethane
SMILESCC.Cc1cnc2sc(N3C[C@@H](C)O[C@@H](C)C3)nn12
InChIInChI=1S/C11H16N4OS.C2H6/c1-7-4-12-10-15(7)13-11(17-10)14-5-8(2)16-9(3)6-14;1-2/h4,8-9H,5-6H2,1-3H3;1-2H3/t8-,9+;
InChIKeyRLLVIBBFMPVFNA-UFIFRZAQSA-N
XLogP2.74
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-(5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine;ethane?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-(5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine;ethane (CID 169237067) is (2S,6R)-2,6-dimethyl-4-(5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine;ethane.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-(5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine;ethane?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-(5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine;ethane is CC.Cc1cnc2sc(N3C[C@@H](C)O[C@@H](C)C3)nn12.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-(5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine;ethane?
The InChIKey is RLLVIBBFMPVFNA-UFIFRZAQSA-N. The full InChI is InChI=1S/C11H16N4OS.C2H6/c1-7-4-12-10-15(7)13-11(17-10)14-5-8(2)16-9(3)6-14;1-2/h4,8-9H,5-6H2,1-3H3;1-2H3/t8-,9+;.
What are the key properties of (2S,6R)-2,6-dimethyl-4-(5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine;ethane?
(2S,6R)-2,6-dimethyl-4-(5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine;ethane has a molecular weight of 282.41 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-(5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine;ethane is sourced from PubChem (CID 169237067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).