2-morpholin-4-yl-5-[(1-prop-2-enylindol-3-yl)methylidene]-1,3-thiazol-4-one

C19H19N3O2S — CID 1497602

IUPAC2-morpholin-4-yl-5-[(1-prop-2-enylindol-3-yl)methylidene]-1,3-thiazol-4-one
SMILESC=CCn1cc(C=C2SC(N3CCOCC3)=NC2=O)c2ccccc21
InChIInChI=1S/C19H19N3O2S/c1-2-7-22-13-14(15-5-3-4-6-16(15)22)12-17-18(23)20-19(25-17)21-8-10-24-11-9-21/h2-6,12-13H,1,7-11H2
InChIKeyXACPACAJIKVBKA-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.13
Rot. Bonds3

About 2-morpholin-4-yl-5-[(1-prop-2-enylindol-3-yl)methylidene]-1,3-thiazol-4-one

2-morpholin-4-yl-5-[(1-prop-2-enylindol-3-yl)methylidene]-1,3-thiazol-4-one (PubChem CID 1497602) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-[(1-prop-2-enylindol-3-yl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-5-[(1-prop-2-enylindol-3-yl)methylidene]-1,3-thiazol-4-one
PubChem CID1497602
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-morpholin-4-yl-5-[(1-prop-2-enylindol-3-yl)methylidene]-1,3-thiazol-4-one
SMILESC=CCn1cc(C=C2SC(N3CCOCC3)=NC2=O)c2ccccc21
InChIInChI=1S/C19H19N3O2S/c1-2-7-22-13-14(15-5-3-4-6-16(15)22)12-17-18(23)20-19(25-17)21-8-10-24-11-9-21/h2-6,12-13H,1,7-11H2
InChIKeyXACPACAJIKVBKA-UHFFFAOYSA-N
XLogP3.13
TPSA46.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.13
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-[(2-methyl-1-benzofuran-3-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 91943519
2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one
CID 3126408
(5Z)-2-morpholin-4-yl-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazol-4-one
CID 751908
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 717351
(5E)-5-[(1,3-dimethylpyrazol-4-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 19589380
(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 985001
5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 5214441
(5E)-2-morpholin-4-yl-5-(quinolin-3-ylmethylidene)-1,3-thiazol-4-one
CID 11976459
5-(furan-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one
CID 6614726
(5E)-5-(2H-chromen-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one
CID 700547
N,N-diethyl-3-[4-[(Z)-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-ylidene)methyl]-1-phenylpyrazol-3-yl]benzenesulfonamide
CID 1402717
(5E)-2-morpholin-4-yl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-4-one
CID 19656193

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-[(1-prop-2-enylindol-3-yl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of 2-morpholin-4-yl-5-[(1-prop-2-enylindol-3-yl)methylidene]-1,3-thiazol-4-one (CID 1497602) is 2-morpholin-4-yl-5-[(1-prop-2-enylindol-3-yl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for 2-morpholin-4-yl-5-[(1-prop-2-enylindol-3-yl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for 2-morpholin-4-yl-5-[(1-prop-2-enylindol-3-yl)methylidene]-1,3-thiazol-4-one is C=CCn1cc(C=C2SC(N3CCOCC3)=NC2=O)c2ccccc21.
What is the InChIKey of 2-morpholin-4-yl-5-[(1-prop-2-enylindol-3-yl)methylidene]-1,3-thiazol-4-one?
The InChIKey is XACPACAJIKVBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-2-7-22-13-14(15-5-3-4-6-16(15)22)12-17-18(23)20-19(25-17)21-8-10-24-11-9-21/h2-6,12-13H,1,7-11H2.
What are the key properties of 2-morpholin-4-yl-5-[(1-prop-2-enylindol-3-yl)methylidene]-1,3-thiazol-4-one?
2-morpholin-4-yl-5-[(1-prop-2-enylindol-3-yl)methylidene]-1,3-thiazol-4-one has a molecular weight of 353.45 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-[(1-prop-2-enylindol-3-yl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 1497602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).