5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one

C20H20N2O3S — CID 3659007

IUPAC5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
SMILESCOc1ccc(-c2ccc(C=C3SC(N4CCCCC4)=NC3=O)o2)cc1
InChIInChI=1S/C20H20N2O3S/c1-24-15-7-5-14(6-8-15)17-10-9-16(25-17)13-18-19(23)21-20(26-18)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12H2,1H3
InChIKeyJYPDWAMGYPVEOT-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.41
Rot. Bonds3

About 5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one

5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one (PubChem CID 3659007) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
PubChem CID3659007
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
SMILESCOc1ccc(-c2ccc(C=C3SC(N4CCCCC4)=NC3=O)o2)cc1
InChIInChI=1S/C20H20N2O3S/c1-24-15-7-5-14(6-8-15)17-10-9-16(25-17)13-18-19(23)21-20(26-18)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12H2,1H3
InChIKeyJYPDWAMGYPVEOT-UHFFFAOYSA-N
XLogP4.41
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.41
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

(E)-2-morpholino-5-((5-(o-tolyl)furan-2-yl)methylene)thiazol-4(5H)-one
CID 1115801
Thiazolidin-4-one, 3-ethyl-2-ethylimino-5-[5-(4-fluorophenyl)furan-2-ylmethylene]-
CID 5292876
2-Morpholin-4-yl-5-(5-p-tolyl-furan-2-ylmethylene)-thiazol-4-one
CID 1115796
(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 1129056
[3-[[5-(4-Methoxyphenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide
CID 162670348
(E)-3-(4-(4-oxo-5-((5-(3-(trifluoromethyl)phenyl)furan-2-yl)methylene)-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile
CID 6525819
US10092551, Example 35
CID 121335387
2-(4-Acetylpiperazin-1-yl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazol-4-one
CID 4619613
(2Z,5Z)-3-ethyl-2-(ethylimino)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-1,3-thiazolidin-4-one
CID 6978464
(5Z)-3-ethyl-2-ethylimino-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 92860971
(5Z)-2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one
CID 775541
N-[(2E,5Z)-4-oxo-5-({5-[4-(trifluoromethoxy)phenyl]furan-2-yl}methylidene)-1,3-thiazolidin-2-ylidene]acetamide
CID 5292765

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
The IUPAC name of 5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one (CID 3659007) is 5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one.
What is the SMILES notation for 5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
The canonical SMILES for 5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one is COc1ccc(-c2ccc(C=C3SC(N4CCCCC4)=NC3=O)o2)cc1.
What is the InChIKey of 5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
The InChIKey is JYPDWAMGYPVEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-24-15-7-5-14(6-8-15)17-10-9-16(25-17)13-18-19(23)21-20(26-18)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12H2,1H3.
What are the key properties of 5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one has a molecular weight of 368.46 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one is sourced from PubChem (CID 3659007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).