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

C15H18N2O2S — CID 676202

IUPAC(5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one
SMILESCc1ccc(/C=C2\SC(N3CCC(C)CC3)=NC2=O)o1
InChIInChI=1S/C15H18N2O2S/c1-10-5-7-17(8-6-10)15-16-14(18)13(20-15)9-12-4-3-11(2)19-12/h3-4,9-10H,5-8H2,1-2H3/b13-9-
InChIKeyYLJGBPSOAPPARL-LCYFTJDESA-N
MW290.39 g/mol
LogP3.29
Rot. Bonds1

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

(5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one (PubChem CID 676202) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one
PubChem CID676202
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name(5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one
SMILESCc1ccc(/C=C2\SC(N3CCC(C)CC3)=NC2=O)o1
InChIInChI=1S/C15H18N2O2S/c1-10-5-7-17(8-6-10)15-16-14(18)13(20-15)9-12-4-3-11(2)19-12/h3-4,9-10H,5-8H2,1-2H3/b13-9-
InChIKeyYLJGBPSOAPPARL-LCYFTJDESA-N
XLogP3.29
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(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)-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
(5E)-5-[(5-Methylfuran-2-YL)methylidene]-2-(4-methylpiperidin-1-YL)-4,5-dihydro-1,3-thiazol-4-one
CID 676201
5-(Furan-2-ylmethylene)-2-morpholinothiazol-4(5H)-one
CID 704637
(5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-(morpholin-4-yl)-1,3-thiazol-4(5H)-one
CID 704640
5-(2-furylmethylene)-2-(1-piperidinyl)-1,3-thiazol-4(5H)-one
CID 2055469
(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4(5H)-one
CID 6016896
2-(4-Ethyl-1-piperazinyl)-5-[(5-methyl-2-furanyl)methylidene]-4-thiazolone
CID 558752
(5E)-2-(4-methylpiperidin-1-yl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazol-4-one
CID 1983109

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one (CID 676202) is (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one is Cc1ccc(/C=C2\SC(N3CCC(C)CC3)=NC2=O)o1.
What is the InChIKey of (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one?
The InChIKey is YLJGBPSOAPPARL-LCYFTJDESA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-5-7-17(8-6-10)15-16-14(18)13(20-15)9-12-4-3-11(2)19-12/h3-4,9-10H,5-8H2,1-2H3/b13-9-.
What are the key properties of (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one?
(5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one has a molecular weight of 290.39 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one is sourced from PubChem (CID 676202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).