(5E)-2-morpholin-4-yl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-4-one

C25H22N2O3S — CID 19656193

IUPAC(5E)-2-morpholin-4-yl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)S/C1=C/c1cccc(OCc2cccc3ccccc23)c1
InChIInChI=1S/C25H22N2O3S/c28-24-23(31-25(26-24)27-11-13-29-14-12-27)16-18-5-3-9-21(15-18)30-17-20-8-4-7-19-6-1-2-10-22(19)20/h1-10,15-16H,11-14,17H2/b23-16+
InChIKeyREACEVFWXSTTMY-XQNSMLJCSA-N
MW430.53 g/mol
LogP4.72
Rot. Bonds4

About (5E)-2-morpholin-4-yl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-4-one

(5E)-2-morpholin-4-yl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-4-one (PubChem CID 19656193) has the molecular formula C25H22N2O3S and a molecular weight of 430.53 g/mol. Its IUPAC name is (5E)-2-morpholin-4-yl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5E)-2-morpholin-4-yl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-4-one
PubChem CID19656193
Molecular FormulaC25H22N2O3S
Molecular Weight430.53 g/mol
Exact Mass430.14
IUPAC Name(5E)-2-morpholin-4-yl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)S/C1=C/c1cccc(OCc2cccc3ccccc23)c1
InChIInChI=1S/C25H22N2O3S/c28-24-23(31-25(26-24)27-11-13-29-14-12-27)16-18-5-3-9-21(15-18)30-17-20-8-4-7-19-6-1-2-10-22(19)20/h1-10,15-16H,11-14,17H2/b23-16+
InChIKeyREACEVFWXSTTMY-XQNSMLJCSA-N
XLogP4.72
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-2-morpholin-4-yl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-4-one?
The IUPAC name of (5E)-2-morpholin-4-yl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-4-one (CID 19656193) is (5E)-2-morpholin-4-yl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for (5E)-2-morpholin-4-yl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-4-one?
The canonical SMILES for (5E)-2-morpholin-4-yl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-4-one is O=C1N=C(N2CCOCC2)S/C1=C/c1cccc(OCc2cccc3ccccc23)c1.
What is the InChIKey of (5E)-2-morpholin-4-yl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-4-one?
The InChIKey is REACEVFWXSTTMY-XQNSMLJCSA-N. The full InChI is InChI=1S/C25H22N2O3S/c28-24-23(31-25(26-24)27-11-13-29-14-12-27)16-18-5-3-9-21(15-18)30-17-20-8-4-7-19-6-1-2-10-22(19)20/h1-10,15-16H,11-14,17H2/b23-16+.
What are the key properties of (5E)-2-morpholin-4-yl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-4-one?
(5E)-2-morpholin-4-yl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-4-one has a molecular weight of 430.53 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-morpholin-4-yl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 19656193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).