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

C17H15N3O2S — CID 11976459

IUPAC(5E)-2-morpholin-4-yl-5-(quinolin-3-ylmethylidene)-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)S/C1=C/c1cnc2ccccc2c1
InChIInChI=1S/C17H15N3O2S/c21-16-15(23-17(19-16)20-5-7-22-8-6-20)10-12-9-13-3-1-2-4-14(13)18-11-12/h1-4,9-11H,5-8H2/b15-10+
InChIKeySHMWPJZVMWXMNC-XNTDXEJSSA-N
MW325.39 g/mol
LogP2.54
Rot. Bonds1

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

(5E)-2-morpholin-4-yl-5-(quinolin-3-ylmethylidene)-1,3-thiazol-4-one (PubChem CID 11976459) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is (5E)-2-morpholin-4-yl-5-(quinolin-3-ylmethylidene)-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5E)-2-morpholin-4-yl-5-(quinolin-3-ylmethylidene)-1,3-thiazol-4-one
PubChem CID11976459
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name(5E)-2-morpholin-4-yl-5-(quinolin-3-ylmethylidene)-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)S/C1=C/c1cnc2ccccc2c1
InChIInChI=1S/C17H15N3O2S/c21-16-15(23-17(19-16)20-5-7-22-8-6-20)10-12-9-13-3-1-2-4-14(13)18-11-12/h1-4,9-11H,5-8H2/b15-10+
InChIKeySHMWPJZVMWXMNC-XNTDXEJSSA-N
XLogP2.54
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.54
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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Related Compounds

(5E)-2-morpholin-4-yl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-4-one
CID 19656193
5-(furan-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one
CID 6614726
5-[(3-bromo-4-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 1401714
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 717351
(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 671071
(5Z)-5-[(3-bromo-4-ethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 1498167
5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 4885817
(5Z)-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 6224306
5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 71962423
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
2-[2-methoxy-4-[(E)-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-ylidene)methyl]phenoxy]acetic acid
CID 6533108

Frequently Asked Questions

What is the IUPAC name of (5E)-2-morpholin-4-yl-5-(quinolin-3-ylmethylidene)-1,3-thiazol-4-one?
The IUPAC name of (5E)-2-morpholin-4-yl-5-(quinolin-3-ylmethylidene)-1,3-thiazol-4-one (CID 11976459) is (5E)-2-morpholin-4-yl-5-(quinolin-3-ylmethylidene)-1,3-thiazol-4-one.
What is the SMILES notation for (5E)-2-morpholin-4-yl-5-(quinolin-3-ylmethylidene)-1,3-thiazol-4-one?
The canonical SMILES for (5E)-2-morpholin-4-yl-5-(quinolin-3-ylmethylidene)-1,3-thiazol-4-one is O=C1N=C(N2CCOCC2)S/C1=C/c1cnc2ccccc2c1.
What is the InChIKey of (5E)-2-morpholin-4-yl-5-(quinolin-3-ylmethylidene)-1,3-thiazol-4-one?
The InChIKey is SHMWPJZVMWXMNC-XNTDXEJSSA-N. The full InChI is InChI=1S/C17H15N3O2S/c21-16-15(23-17(19-16)20-5-7-22-8-6-20)10-12-9-13-3-1-2-4-14(13)18-11-12/h1-4,9-11H,5-8H2/b15-10+.
What are the key properties of (5E)-2-morpholin-4-yl-5-(quinolin-3-ylmethylidene)-1,3-thiazol-4-one?
(5E)-2-morpholin-4-yl-5-(quinolin-3-ylmethylidene)-1,3-thiazol-4-one has a molecular weight of 325.39 g/mol, XLogP of 2.54, 1 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-(quinolin-3-ylmethylidene)-1,3-thiazol-4-one is sourced from PubChem (CID 11976459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).