(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-(1-phenylethylidene)-1,3-thiazol-4-one

C17H20N2O2S — CID 2936629

IUPAC(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-(1-phenylethylidene)-1,3-thiazol-4-one
SMILESC/C(=C1/SC(N2CC(C)OC(C)C2)=NC1=O)c1ccccc1
InChIInChI=1S/C17H20N2O2S/c1-11-9-19(10-12(2)21-11)17-18-16(20)15(22-17)13(3)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3/b15-13-
InChIKeyNWIBIQZUFDWWQW-SQFISAMPSA-N
MW316.43 g/mol
LogP3.16
Rot. Bonds1

About (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-(1-phenylethylidene)-1,3-thiazol-4-one

(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-(1-phenylethylidene)-1,3-thiazol-4-one (PubChem CID 2936629) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-(1-phenylethylidene)-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-(1-phenylethylidene)-1,3-thiazol-4-one
PubChem CID2936629
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-(1-phenylethylidene)-1,3-thiazol-4-one
SMILESC/C(=C1/SC(N2CC(C)OC(C)C2)=NC1=O)c1ccccc1
InChIInChI=1S/C17H20N2O2S/c1-11-9-19(10-12(2)21-11)17-18-16(20)15(22-17)13(3)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3/b15-13-
InChIKeyNWIBIQZUFDWWQW-SQFISAMPSA-N
XLogP3.16
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.16
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 (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-(1-phenylethylidene)-1,3-thiazol-4-one?
The IUPAC name of (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-(1-phenylethylidene)-1,3-thiazol-4-one (CID 2936629) is (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-(1-phenylethylidene)-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-(1-phenylethylidene)-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-(1-phenylethylidene)-1,3-thiazol-4-one is C/C(=C1/SC(N2CC(C)OC(C)C2)=NC1=O)c1ccccc1.
What is the InChIKey of (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-(1-phenylethylidene)-1,3-thiazol-4-one?
The InChIKey is NWIBIQZUFDWWQW-SQFISAMPSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-11-9-19(10-12(2)21-11)17-18-16(20)15(22-17)13(3)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3/b15-13-.
What are the key properties of (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-(1-phenylethylidene)-1,3-thiazol-4-one?
(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-(1-phenylethylidene)-1,3-thiazol-4-one has a molecular weight of 316.43 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-(1-phenylethylidene)-1,3-thiazol-4-one is sourced from PubChem (CID 2936629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).