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

C17H16N2O3S — CID 91943519

IUPAC5-[(2-methyl-1-benzofuran-3-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESCc1oc2ccccc2c1C=C1SC(N2CCOCC2)=NC1=O
InChIInChI=1S/C17H16N2O3S/c1-11-13(12-4-2-3-5-14(12)22-11)10-15-16(20)18-17(23-15)19-6-8-21-9-7-19/h2-5,10H,6-9H2,1H3
InChIKeyPQFXLJPLXQFKBV-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.04
Rot. Bonds1

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

5-[(2-methyl-1-benzofuran-3-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (PubChem CID 91943519) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 5-[(2-methyl-1-benzofuran-3-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name5-[(2-methyl-1-benzofuran-3-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
PubChem CID91943519
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name5-[(2-methyl-1-benzofuran-3-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESCc1oc2ccccc2c1C=C1SC(N2CCOCC2)=NC1=O
InChIInChI=1S/C17H16N2O3S/c1-11-13(12-4-2-3-5-14(12)22-11)10-15-16(20)18-17(23-15)19-6-8-21-9-7-19/h2-5,10H,6-9H2,1H3
InChIKeyPQFXLJPLXQFKBV-UHFFFAOYSA-N
XLogP3.04
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.04
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

(5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 717351
2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one
CID 3126408
5-(furan-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one
CID 6614726
(5Z)-2-morpholin-4-yl-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazol-4-one
CID 751908
2-morpholin-4-yl-5-[(1-prop-2-enylindol-3-yl)methylidene]-1,3-thiazol-4-one
CID 1497602
(5E)-5-[(1,3-dimethylpyrazol-4-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 19589380
(5E)-5-(2H-chromen-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one
CID 700547
5-[4-(3-methylphenyl)but-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 90891503
(5E)-2-morpholin-4-yl-5-(quinolin-3-ylmethylidene)-1,3-thiazol-4-one
CID 11976459
(5E)-5-[(4-methylphenyl)methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one
CID 11976631
(5E)-2-morpholin-4-yl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-4-one
CID 19656193
(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 985001

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-1-benzofuran-3-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The IUPAC name of 5-[(2-methyl-1-benzofuran-3-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (CID 91943519) is 5-[(2-methyl-1-benzofuran-3-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.
What is the SMILES notation for 5-[(2-methyl-1-benzofuran-3-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The canonical SMILES for 5-[(2-methyl-1-benzofuran-3-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is Cc1oc2ccccc2c1C=C1SC(N2CCOCC2)=NC1=O.
What is the InChIKey of 5-[(2-methyl-1-benzofuran-3-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The InChIKey is PQFXLJPLXQFKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-11-13(12-4-2-3-5-14(12)22-11)10-15-16(20)18-17(23-15)19-6-8-21-9-7-19/h2-5,10H,6-9H2,1H3.
What are the key properties of 5-[(2-methyl-1-benzofuran-3-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
5-[(2-methyl-1-benzofuran-3-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one has a molecular weight of 328.39 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-1-benzofuran-3-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is sourced from PubChem (CID 91943519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).