(5E)-2-morpholin-4-yl-5-(naphthalen-1-ylmethylidene)-1,3-thiazol-4-one

C18H16N2O2S — CID 703262

IUPAC(5E)-2-morpholin-4-yl-5-(naphthalen-1-ylmethylidene)-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)S/C1=C/c1cccc2ccccc12
InChIInChI=1S/C18H16N2O2S/c21-17-16(23-18(19-17)20-8-10-22-11-9-20)12-14-6-3-5-13-4-1-2-7-15(13)14/h1-7,12H,8-11H2/b16-12+
InChIKeySDHCZYNNLSNGJM-FOWTUZBSSA-N
MW324.40 g/mol
LogP3.14
Rot. Bonds1

About (5E)-2-morpholin-4-yl-5-(naphthalen-1-ylmethylidene)-1,3-thiazol-4-one

(5E)-2-morpholin-4-yl-5-(naphthalen-1-ylmethylidene)-1,3-thiazol-4-one (PubChem CID 703262) has the molecular formula C18H16N2O2S and a molecular weight of 324.40 g/mol. Its IUPAC name is (5E)-2-morpholin-4-yl-5-(naphthalen-1-ylmethylidene)-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5E)-2-morpholin-4-yl-5-(naphthalen-1-ylmethylidene)-1,3-thiazol-4-one
PubChem CID703262
Molecular FormulaC18H16N2O2S
Molecular Weight324.40 g/mol
Exact Mass324.09
IUPAC Name(5E)-2-morpholin-4-yl-5-(naphthalen-1-ylmethylidene)-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)S/C1=C/c1cccc2ccccc12
InChIInChI=1S/C18H16N2O2S/c21-17-16(23-18(19-17)20-8-10-22-11-9-20)12-14-6-3-5-13-4-1-2-7-15(13)14/h1-7,12H,8-11H2/b16-12+
InChIKeySDHCZYNNLSNGJM-FOWTUZBSSA-N
XLogP3.14
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(naphthalen-1-ylmethylidene)-1,3-thiazol-4-one?
The IUPAC name of (5E)-2-morpholin-4-yl-5-(naphthalen-1-ylmethylidene)-1,3-thiazol-4-one (CID 703262) is (5E)-2-morpholin-4-yl-5-(naphthalen-1-ylmethylidene)-1,3-thiazol-4-one.
What is the SMILES notation for (5E)-2-morpholin-4-yl-5-(naphthalen-1-ylmethylidene)-1,3-thiazol-4-one?
The canonical SMILES for (5E)-2-morpholin-4-yl-5-(naphthalen-1-ylmethylidene)-1,3-thiazol-4-one is O=C1N=C(N2CCOCC2)S/C1=C/c1cccc2ccccc12.
What is the InChIKey of (5E)-2-morpholin-4-yl-5-(naphthalen-1-ylmethylidene)-1,3-thiazol-4-one?
The InChIKey is SDHCZYNNLSNGJM-FOWTUZBSSA-N. The full InChI is InChI=1S/C18H16N2O2S/c21-17-16(23-18(19-17)20-8-10-22-11-9-20)12-14-6-3-5-13-4-1-2-7-15(13)14/h1-7,12H,8-11H2/b16-12+.
What are the key properties of (5E)-2-morpholin-4-yl-5-(naphthalen-1-ylmethylidene)-1,3-thiazol-4-one?
(5E)-2-morpholin-4-yl-5-(naphthalen-1-ylmethylidene)-1,3-thiazol-4-one has a molecular weight of 324.40 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-morpholin-4-yl-5-(naphthalen-1-ylmethylidene)-1,3-thiazol-4-one is sourced from PubChem (CID 703262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).