(5Z)-2-morpholin-4-yl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazol-4-one

C17H20N2O2S — CID 687188

IUPAC(5Z)-2-morpholin-4-yl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazol-4-one
SMILESCC(C)c1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1
InChIInChI=1S/C17H20N2O2S/c1-12(2)14-5-3-13(4-6-14)11-15-16(20)18-17(22-15)19-7-9-21-10-8-19/h3-6,11-12H,7-10H2,1-2H3/b15-11-
InChIKeyJPBHOXFOHLNEBX-PTNGSMBKSA-N
MW316.43 g/mol
LogP3.11
Rot. Bonds2

About (5Z)-2-morpholin-4-yl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazol-4-one

(5Z)-2-morpholin-4-yl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazol-4-one (PubChem CID 687188) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is (5Z)-2-morpholin-4-yl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-2-morpholin-4-yl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazol-4-one
PubChem CID687188
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name(5Z)-2-morpholin-4-yl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazol-4-one
SMILESCC(C)c1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1
InChIInChI=1S/C17H20N2O2S/c1-12(2)14-5-3-13(4-6-14)11-15-16(20)18-17(22-15)19-7-9-21-10-8-19/h3-6,11-12H,7-10H2,1-2H3/b15-11-
InChIKeyJPBHOXFOHLNEBX-PTNGSMBKSA-N
XLogP3.11
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.11
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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Related Compounds

5-(4-Methyl-benzylidene)-2-piperidin-1-yl-thiazol-4-one
CID 691921
(E)-2-morpholino-5-(naphthalen-1-ylmethylene)thiazol-4(5H)-one
CID 703262
(E)-2-morpholino-5-(1-(p-tolyl)ethylidene)thiazol-4(5H)-one
CID 660193
(5E)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 682575
5-(4-isopropylbenzylidene)-2-(1-pyrrolidinyl)-1,3-thiazol-4(5H)-one
CID 754702
2-morpholino-5-[(Z,2Z)-3-phenyl-2-propenylidene]-1,3-thiazol-4-one
CID 1926999
(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-(1-phenylethylidene)-1,3-thiazol-4(5H)-one
CID 2936629
(E)-5-(4-ethylbenzylidene)-2-morpholinothiazol-4(5H)-one
CID 1927661
(5Z)-5-(4-ethylbenzylidene)-2-morpholin-4-yl-1,3-thiazol-4(5H)-one
CID 1927662
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 50910551
(5Z)-5-(4-methylbenzylidene)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4(5H)-one
CID 701668
2-Morpholin-4-yl-5-(phenylethylidene)-1,3-thiazolin-4-one
CID 885277

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-morpholin-4-yl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of (5Z)-2-morpholin-4-yl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazol-4-one (CID 687188) is (5Z)-2-morpholin-4-yl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-2-morpholin-4-yl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-2-morpholin-4-yl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazol-4-one is CC(C)c1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1.
What is the InChIKey of (5Z)-2-morpholin-4-yl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazol-4-one?
The InChIKey is JPBHOXFOHLNEBX-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-12(2)14-5-3-13(4-6-14)11-15-16(20)18-17(22-15)19-7-9-21-10-8-19/h3-6,11-12H,7-10H2,1-2H3/b15-11-.
What are the key properties of (5Z)-2-morpholin-4-yl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazol-4-one?
(5Z)-2-morpholin-4-yl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazol-4-one has a molecular weight of 316.43 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-morpholin-4-yl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 687188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).