1-[2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanone

C10H9NO2S — CID 104806298

IUPAC1-[2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2occc2C)s1
InChIInChI=1S/C10H9NO2S/c1-6-3-4-13-9(6)10-11-5-8(14-10)7(2)12/h3-5H,1-2H3
InChIKeyHXSNXWZRDOQMDI-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.91
Rot. Bonds2

About 1-[2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanone

1-[2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanone (PubChem CID 104806298) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-[2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanone
PubChem CID104806298
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name1-[2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2occc2C)s1
InChIInChI=1S/C10H9NO2S/c1-6-3-4-13-9(6)10-11-5-8(14-10)7(2)12/h3-5H,1-2H3
InChIKeyHXSNXWZRDOQMDI-UHFFFAOYSA-N
XLogP2.91
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-2-(3-methylfuran-2-yl)-1,3-thiazole
CID 104808043
1-[2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]ethanone
CID 130848604
1-[2-(5-chlorofuran-2-yl)-1,3-thiazol-5-yl]ethanone
CID 115091217
2-(2-methylfuran-3-yl)-1,3-thiazole-5-carboxylic acid
CID 104789074
1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 107931854
1-[2-(3,5-dichlorophenyl)-1,3-thiazol-5-yl]ethanone
CID 62652441
1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]ethanone
CID 65198189
1-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]ethanone
CID 1477653
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-5-yl]ethanone
CID 55102198
1-[2-(3-phenoxyphenyl)-1,3-thiazol-5-yl]ethanone
CID 62652088
N-(5-acetyl-1,3-thiazol-2-yl)acetamide;hydrobromide
CID 141437106
1-[2-(3-bromo-4-chlorophenyl)-1,3-thiazol-5-yl]ethanone
CID 115568074

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanone (CID 104806298) is 1-[2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(-c2occc2C)s1.
What is the InChIKey of 1-[2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is HXSNXWZRDOQMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-6-3-4-13-9(6)10-11-5-8(14-10)7(2)12/h3-5H,1-2H3.
What are the key properties of 1-[2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanone?
1-[2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 207.25 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 104806298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).