2-(2,6-difluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone

C12H9F2NOS — CID 105135828

IUPAC2-(2,6-difluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
SMILESCc1ncsc1C(=O)Cc1c(F)cccc1F
InChIInChI=1S/C12H9F2NOS/c1-7-12(17-6-15-7)11(16)5-8-9(13)3-2-4-10(8)14/h2-4,6H,5H2,1H3
InChIKeyCXMBRIURJGSLFO-UHFFFAOYSA-N
MW253.27 g/mol
LogP3.16
Rot. Bonds3

About 2-(2,6-difluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone

2-(2,6-difluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone (PubChem CID 105135828) has the molecular formula C12H9F2NOS and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
PubChem CID105135828
Molecular FormulaC12H9F2NOS
Molecular Weight253.27 g/mol
Exact Mass253.04
IUPAC Name2-(2,6-difluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
SMILESCc1ncsc1C(=O)Cc1c(F)cccc1F
InChIInChI=1S/C12H9F2NOS/c1-7-12(17-6-15-7)11(16)5-8-9(13)3-2-4-10(8)14/h2-4,6H,5H2,1H3
InChIKeyCXMBRIURJGSLFO-UHFFFAOYSA-N
XLogP3.16
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 2-(2,6-difluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone (CID 105135828) is 2-(2,6-difluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone is Cc1ncsc1C(=O)Cc1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone?
The InChIKey is CXMBRIURJGSLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NOS/c1-7-12(17-6-15-7)11(16)5-8-9(13)3-2-4-10(8)14/h2-4,6H,5H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone?
2-(2,6-difluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone has a molecular weight of 253.27 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 105135828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).