2-(5-decyl-2H-1,3-thiazol-3-yl)-1-(furan-2-yl)ethanone

C19H29NO2S — CID 56978441

IUPAC2-(5-decyl-2H-1,3-thiazol-3-yl)-1-(furan-2-yl)ethanone
SMILESCCCCCCCCCCC1=CN(CC(=O)c2ccco2)CS1
InChIInChI=1S/C19H29NO2S/c1-2-3-4-5-6-7-8-9-11-17-14-20(16-23-17)15-18(21)19-12-10-13-22-19/h10,12-14H,2-9,11,15-16H2,1H3
InChIKeyXEZVIAHKOGTKQJ-UHFFFAOYSA-N
MW335.51 g/mol
LogP5.84
Rot. Bonds12

About 2-(5-decyl-2H-1,3-thiazol-3-yl)-1-(furan-2-yl)ethanone

2-(5-decyl-2H-1,3-thiazol-3-yl)-1-(furan-2-yl)ethanone (PubChem CID 56978441) has the molecular formula C19H29NO2S and a molecular weight of 335.51 g/mol. Its IUPAC name is 2-(5-decyl-2H-1,3-thiazol-3-yl)-1-(furan-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-decyl-2H-1,3-thiazol-3-yl)-1-(furan-2-yl)ethanone
PubChem CID56978441
Molecular FormulaC19H29NO2S
Molecular Weight335.51 g/mol
Exact Mass335.19
IUPAC Name2-(5-decyl-2H-1,3-thiazol-3-yl)-1-(furan-2-yl)ethanone
SMILESCCCCCCCCCCC1=CN(CC(=O)c2ccco2)CS1
InChIInChI=1S/C19H29NO2S/c1-2-3-4-5-6-7-8-9-11-17-14-20(16-23-17)15-18(21)19-12-10-13-22-19/h10,12-14H,2-9,11,15-16H2,1H3
InChIKeyXEZVIAHKOGTKQJ-UHFFFAOYSA-N
XLogP5.84
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.51
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-yl)undecan-1-one
CID 15721327
furan-2-carboxylic acid;hexane
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CID 6733621
[2-(furan-2-yl)-2-oxoethyl] octadecanoate
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1-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanone
CID 55050319
2-(1,3-dihydroisoindol-2-yl)-1-(furan-2-yl)ethanone
CID 62206434
(Z)-1-(furan-2-yl)oct-3-en-1-one
CID 15606164
N-butyl-N-decylfuran-2-carboxamide
CID 91700689
2-(2-ethylimidazol-1-yl)-1-(furan-2-yl)ethanone
CID 61405119
furan-2-yl-[(5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 40502190
furan-2-yl-[3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 3142710
N-butyl-4-(furan-2-yl)-4-oxobutanamide
CID 110389809

Frequently Asked Questions

What is the IUPAC name of 2-(5-decyl-2H-1,3-thiazol-3-yl)-1-(furan-2-yl)ethanone?
The IUPAC name of 2-(5-decyl-2H-1,3-thiazol-3-yl)-1-(furan-2-yl)ethanone (CID 56978441) is 2-(5-decyl-2H-1,3-thiazol-3-yl)-1-(furan-2-yl)ethanone.
What is the SMILES notation for 2-(5-decyl-2H-1,3-thiazol-3-yl)-1-(furan-2-yl)ethanone?
The canonical SMILES for 2-(5-decyl-2H-1,3-thiazol-3-yl)-1-(furan-2-yl)ethanone is CCCCCCCCCCC1=CN(CC(=O)c2ccco2)CS1.
What is the InChIKey of 2-(5-decyl-2H-1,3-thiazol-3-yl)-1-(furan-2-yl)ethanone?
The InChIKey is XEZVIAHKOGTKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2S/c1-2-3-4-5-6-7-8-9-11-17-14-20(16-23-17)15-18(21)19-12-10-13-22-19/h10,12-14H,2-9,11,15-16H2,1H3.
What are the key properties of 2-(5-decyl-2H-1,3-thiazol-3-yl)-1-(furan-2-yl)ethanone?
2-(5-decyl-2H-1,3-thiazol-3-yl)-1-(furan-2-yl)ethanone has a molecular weight of 335.51 g/mol, XLogP of 5.84, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-decyl-2H-1,3-thiazol-3-yl)-1-(furan-2-yl)ethanone is sourced from PubChem (CID 56978441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).