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

C13H14N2O3S — CID 704640

IUPAC(5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESCc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)o1
InChIInChI=1S/C13H14N2O3S/c1-9-2-3-10(18-9)8-11-12(16)14-13(19-11)15-4-6-17-7-5-15/h2-3,8H,4-7H2,1H3/b11-8-
InChIKeyBQKWLLZKFQCERR-FLIBITNWSA-N
MW278.33 g/mol
LogP1.89
Rot. Bonds1

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

(5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (PubChem CID 704640) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
PubChem CID704640
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name(5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESCc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)o1
InChIInChI=1S/C13H14N2O3S/c1-9-2-3-10(18-9)8-11-12(16)14-13(19-11)15-4-6-17-7-5-15/h2-3,8H,4-7H2,1H3/b11-8-
InChIKeyBQKWLLZKFQCERR-FLIBITNWSA-N
XLogP1.89
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.89
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

2-(2-furylmethylene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
CID 773189
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-furyl)acrylamide
CID 801586
2-Morpholin-4-yl-5-(5-p-tolyl-furan-2-ylmethylene)-thiazol-4-one
CID 1115796
2-[(5-methyl-2-furyl)methylene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
CID 1217918
5-(Furan-2-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one
CID 229999
(5Z)-2-(4-ethylpiperazin-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one
CID 1953653
(5Z)-2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one
CID 775541
(5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-(piperidin-1-yl)-1,3-thiazol-4(5H)-one
CID 1913123
2-(4-Ethyl-piperazin-1-yl)-5-(5-methyl-furan-2-ylmethylene)-thiazol-4-one
CID 1953655
(Z)-2-(furan-2-ylmethylene)-6,7-dihydro-2H-thiazolo[3,2-a]pyrimidin-3(5H)-one
CID 773191
(5E)-5-[(5-Methylfuran-2-YL)methylidene]-2-(4-methylpiperidin-1-YL)-4,5-dihydro-1,3-thiazol-4-one
CID 676201
5-[(5-Methyl(2-furyl))methylene]-2-(4-methylpiperidyl)-1,3-thiazolin-4-one
CID 676202

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (CID 704640) is (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is Cc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)o1.
What is the InChIKey of (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The InChIKey is BQKWLLZKFQCERR-FLIBITNWSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-9-2-3-10(18-9)8-11-12(16)14-13(19-11)15-4-6-17-7-5-15/h2-3,8H,4-7H2,1H3/b11-8-.
What are the key properties of (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
(5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one has a molecular weight of 278.33 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is sourced from PubChem (CID 704640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).