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

C9H7NO2S — CID 112642317

IUPAC1-(furan-3-yl)-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)c1ccoc1
InChIInChI=1S/C9H7NO2S/c11-9(7-1-2-12-5-7)3-8-4-10-6-13-8/h1-2,4-6H,3H2
InChIKeyAJVYIJOQJHCUCD-UHFFFAOYSA-N
MW193.23 g/mol
LogP2.16
Rot. Bonds3

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

1-(furan-3-yl)-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 112642317) has the molecular formula C9H7NO2S and a molecular weight of 193.23 g/mol. Its IUPAC name is 1-(furan-3-yl)-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(furan-3-yl)-2-(1,3-thiazol-5-yl)ethanone
PubChem CID112642317
Molecular FormulaC9H7NO2S
Molecular Weight193.23 g/mol
Exact Mass193.02
IUPAC Name1-(furan-3-yl)-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)c1ccoc1
InChIInChI=1S/C9H7NO2S/c11-9(7-1-2-12-5-7)3-8-4-10-6-13-8/h1-2,4-6H,3H2
InChIKeyAJVYIJOQJHCUCD-UHFFFAOYSA-N
XLogP2.16
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-bis(1,3-thiazol-5-yl)ethanone
CID 112642435
1-(3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642213
1-(4-bromo-3-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 115796114
1-(4-bromo-3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 115796156
1-(furan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 63948149
1-(3-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 115795942
1-(3-chloro-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone
CID 105126307
1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 103125222
1-(2,6-dimethyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone
CID 105126213
2-(2-chlorophenyl)-1-(furan-3-yl)ethanone
CID 61056249
1-(2-amino-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642327
1-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 115796085

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(furan-3-yl)-2-(1,3-thiazol-5-yl)ethanone (CID 112642317) is 1-(furan-3-yl)-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(furan-3-yl)-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(furan-3-yl)-2-(1,3-thiazol-5-yl)ethanone is O=C(Cc1cncs1)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is AJVYIJOQJHCUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S/c11-9(7-1-2-12-5-7)3-8-4-10-6-13-8/h1-2,4-6H,3H2.
What are the key properties of 1-(furan-3-yl)-2-(1,3-thiazol-5-yl)ethanone?
1-(furan-3-yl)-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 193.23 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 112642317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).