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

C12H9F2NOS — CID 2806145

IUPAC1-[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2ccc(F)cc2F)nc1C
InChIInChI=1S/C12H9F2NOS/c1-6-11(7(2)16)17-12(15-6)9-4-3-8(13)5-10(9)14/h3-5H,1-2H3
InChIKeyUSFOMBZENAQSQM-UHFFFAOYSA-N
MW253.27 g/mol
LogP3.60
Rot. Bonds2

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

1-[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 2806145) has the molecular formula C12H9F2NOS and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID2806145
Molecular FormulaC12H9F2NOS
Molecular Weight253.27 g/mol
Exact Mass253.04
IUPAC Name1-[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2ccc(F)cc2F)nc1C
InChIInChI=1S/C12H9F2NOS/c1-6-11(7(2)16)17-12(15-6)9-4-3-8(13)5-10(9)14/h3-5H,1-2H3
InChIKeyUSFOMBZENAQSQM-UHFFFAOYSA-N
XLogP3.60
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone (CID 2806145) is 1-[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(-c2ccc(F)cc2F)nc1C.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is USFOMBZENAQSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NOS/c1-6-11(7(2)16)17-12(15-6)9-4-3-8(13)5-10(9)14/h3-5H,1-2H3.
What are the key properties of 1-[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 253.27 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 2806145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).