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

C15H18N2O2S — CID 2768168

IUPAC4-[[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl]morpholine
SMILESCc1ccc(Oc2ncc(CN3CCOCC3)s2)cc1
InChIInChI=1S/C15H18N2O2S/c1-12-2-4-13(5-3-12)19-15-16-10-14(20-15)11-17-6-8-18-9-7-17/h2-5,10H,6-9,11H2,1H3
InChIKeyONXBLAONYPPALD-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.08
Rot. Bonds4

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

4-[[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl]morpholine (PubChem CID 2768168) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-[[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl]morpholine
PubChem CID2768168
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name4-[[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl]morpholine
SMILESCc1ccc(Oc2ncc(CN3CCOCC3)s2)cc1
InChIInChI=1S/C15H18N2O2S/c1-12-2-4-13(5-3-12)19-15-16-10-14(20-15)11-17-6-8-18-9-7-17/h2-5,10H,6-9,11H2,1H3
InChIKeyONXBLAONYPPALD-UHFFFAOYSA-N
XLogP3.08
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl]morpholine?
The IUPAC name of 4-[[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl]morpholine (CID 2768168) is 4-[[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl]morpholine is Cc1ccc(Oc2ncc(CN3CCOCC3)s2)cc1.
What is the InChIKey of 4-[[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl]morpholine?
The InChIKey is ONXBLAONYPPALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-12-2-4-13(5-3-12)19-15-16-10-14(20-15)11-17-6-8-18-9-7-17/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 4-[[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl]morpholine?
4-[[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl]morpholine has a molecular weight of 290.39 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-methylphenoxy)-1,3-thiazol-5-yl]methyl]morpholine is sourced from PubChem (CID 2768168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).