2,6-dimethyl-4-[[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl]morpholine

C17H22N2O2S — CID 2768180

IUPAC2,6-dimethyl-4-[[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl]morpholine
SMILESCc1ccc(Oc2ncc(CN3CC(C)OC(C)C3)s2)cc1
InChIInChI=1S/C17H22N2O2S/c1-12-4-6-15(7-5-12)21-17-18-8-16(22-17)11-19-9-13(2)20-14(3)10-19/h4-8,13-14H,9-11H2,1-3H3
InChIKeyJOIJKJHWKVKTQP-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.85
Rot. Bonds4

About 2,6-dimethyl-4-[[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl]morpholine

2,6-dimethyl-4-[[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl]morpholine (PubChem CID 2768180) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 2,6-dimethyl-4-[[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl]morpholine
PubChem CID2768180
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name2,6-dimethyl-4-[[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl]morpholine
SMILESCc1ccc(Oc2ncc(CN3CC(C)OC(C)C3)s2)cc1
InChIInChI=1S/C17H22N2O2S/c1-12-4-6-15(7-5-12)21-17-18-8-16(22-17)11-19-9-13(2)20-14(3)10-19/h4-8,13-14H,9-11H2,1-3H3
InChIKeyJOIJKJHWKVKTQP-UHFFFAOYSA-N
XLogP3.85
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl]morpholine (CID 2768180) is 2,6-dimethyl-4-[[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl]morpholine is Cc1ccc(Oc2ncc(CN3CC(C)OC(C)C3)s2)cc1.
What is the InChIKey of 2,6-dimethyl-4-[[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl]morpholine?
The InChIKey is JOIJKJHWKVKTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-12-4-6-15(7-5-12)21-17-18-8-16(22-17)11-19-9-13(2)20-14(3)10-19/h4-8,13-14H,9-11H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-[[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl]morpholine?
2,6-dimethyl-4-[[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl]morpholine has a molecular weight of 318.44 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl]morpholine is sourced from PubChem (CID 2768180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).