1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanone

C12H10FNO2S — CID 55148419

IUPAC1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1OCc1cscn1
InChIInChI=1S/C12H10FNO2S/c1-8(15)11-3-2-9(13)4-12(11)16-5-10-6-17-7-14-10/h2-4,6-7H,5H2,1H3
InChIKeyNGOSWTDGYSPBLZ-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.06
Rot. Bonds4

About 1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanone

1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanone (PubChem CID 55148419) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanone
PubChem CID55148419
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Name1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1OCc1cscn1
InChIInChI=1S/C12H10FNO2S/c1-8(15)11-3-2-9(13)4-12(11)16-5-10-6-17-7-14-10/h2-4,6-7H,5H2,1H3
InChIKeyNGOSWTDGYSPBLZ-UHFFFAOYSA-N
XLogP3.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanone?
The IUPAC name of 1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanone (CID 55148419) is 1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanone is CC(=O)c1ccc(F)cc1OCc1cscn1.
What is the InChIKey of 1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanone?
The InChIKey is NGOSWTDGYSPBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c1-8(15)11-3-2-9(13)4-12(11)16-5-10-6-17-7-14-10/h2-4,6-7H,5H2,1H3.
What are the key properties of 1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanone?
1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanone has a molecular weight of 251.28 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanone is sourced from PubChem (CID 55148419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).