(5Z)-5-(furan-2-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one

C12H12N2O3S — CID 704637

IUPAC(5Z)-5-(furan-2-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)S/C1=C\c1ccco1
InChIInChI=1S/C12H12N2O3S/c15-11-10(8-9-2-1-5-17-9)18-12(13-11)14-3-6-16-7-4-14/h1-2,5,8H,3-4,6-7H2/b10-8-
InChIKeyVVWQIOMMRSWLGV-NTMALXAHSA-N
MW264.31 g/mol
LogP1.58
Rot. Bonds1

About (5Z)-5-(furan-2-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one

(5Z)-5-(furan-2-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one (PubChem CID 704637) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is (5Z)-5-(furan-2-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-(furan-2-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one
PubChem CID704637
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name(5Z)-5-(furan-2-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)S/C1=C\c1ccco1
InChIInChI=1S/C12H12N2O3S/c15-11-10(8-9-2-1-5-17-9)18-12(13-11)14-3-6-16-7-4-14/h1-2,5,8H,3-4,6-7H2/b10-8-
InChIKeyVVWQIOMMRSWLGV-NTMALXAHSA-N
XLogP1.58
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.58
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

5-(2-Furylmethylene)-2-imino-1,3-thiazolidin-4-one
CID 1243441
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-[(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
3-(2-Furanyl)-1-(4-morpholinyl)-2-propen-1-one
CID 251283
N-[3-acetyl-2-[(E)-2-(furan-2-yl)ethenyl]-2H-1,3,4-thiadiazol-5-yl]-N-prop-2-enylacetamide
CID 90675505
(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

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(furan-2-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-(furan-2-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one (CID 704637) is (5Z)-5-(furan-2-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-(furan-2-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-(furan-2-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one is O=C1N=C(N2CCOCC2)S/C1=C\c1ccco1.
What is the InChIKey of (5Z)-5-(furan-2-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one?
The InChIKey is VVWQIOMMRSWLGV-NTMALXAHSA-N. The full InChI is InChI=1S/C12H12N2O3S/c15-11-10(8-9-2-1-5-17-9)18-12(13-11)14-3-6-16-7-4-14/h1-2,5,8H,3-4,6-7H2/b10-8-.
What are the key properties of (5Z)-5-(furan-2-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one?
(5Z)-5-(furan-2-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one has a molecular weight of 264.31 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(furan-2-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one is sourced from PubChem (CID 704637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).