1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanone

C11H7F2NOS — CID 63524748

IUPAC1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C11H7F2NOS/c1-6(15)11-14-10(5-16-11)8-4-7(12)2-3-9(8)13/h2-5H,1H3
InChIKeyMOELGSZFHXMARI-UHFFFAOYSA-N
MW239.25 g/mol
LogP3.29
Rot. Bonds2

About 1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanone

1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanone (PubChem CID 63524748) has the molecular formula C11H7F2NOS and a molecular weight of 239.25 g/mol. Its IUPAC name is 1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanone
PubChem CID63524748
Molecular FormulaC11H7F2NOS
Molecular Weight239.25 g/mol
Exact Mass239.02
IUPAC Name1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C11H7F2NOS/c1-6(15)11-14-10(5-16-11)8-4-7(12)2-3-9(8)13/h2-5H,1H3
InChIKeyMOELGSZFHXMARI-UHFFFAOYSA-N
XLogP3.29
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanone (CID 63524748) is 1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanone is CC(=O)c1nc(-c2cc(F)ccc2F)cs1.
What is the InChIKey of 1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanone?
The InChIKey is MOELGSZFHXMARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NOS/c1-6(15)11-14-10(5-16-11)8-4-7(12)2-3-9(8)13/h2-5H,1H3.
What are the key properties of 1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanone?
1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanone has a molecular weight of 239.25 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 63524748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).