2-(2,6-difluorophenyl)-1-[2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-5-yl]ethanone

C21H14F2N2O2S — CID 157281989

IUPAC2-(2,6-difluorophenyl)-1-[2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-5-yl]ethanone
SMILESCc1ccc(-c2ncco2)cc1-c1ncc(C(=O)Cc2c(F)cccc2F)s1
InChIInChI=1S/C21H14F2N2O2S/c1-12-5-6-13(20-24-7-8-27-20)9-14(12)21-25-11-19(28-21)18(26)10-15-16(22)3-2-4-17(15)23/h2-9,11H,10H2,1H3
InChIKeyAZTRUFMBPYDEND-UHFFFAOYSA-N
MW396.42 g/mol
LogP5.48
Rot. Bonds5

About 2-(2,6-difluorophenyl)-1-[2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-5-yl]ethanone

2-(2,6-difluorophenyl)-1-[2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-5-yl]ethanone (PubChem CID 157281989) has the molecular formula C21H14F2N2O2S and a molecular weight of 396.42 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-[2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-[2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-5-yl]ethanone
PubChem CID157281989
Molecular FormulaC21H14F2N2O2S
Molecular Weight396.42 g/mol
Exact Mass396.07
IUPAC Name2-(2,6-difluorophenyl)-1-[2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-5-yl]ethanone
SMILESCc1ccc(-c2ncco2)cc1-c1ncc(C(=O)Cc2c(F)cccc2F)s1
InChIInChI=1S/C21H14F2N2O2S/c1-12-5-6-13(20-24-7-8-27-20)9-14(12)21-25-11-19(28-21)18(26)10-15-16(22)3-2-4-17(15)23/h2-9,11H,10H2,1H3
InChIKeyAZTRUFMBPYDEND-UHFFFAOYSA-N
XLogP5.48
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.42
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2,6-difluorophenyl)-1-[2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-[2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 2-(2,6-difluorophenyl)-1-[2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-5-yl]ethanone (CID 157281989) is 2-(2,6-difluorophenyl)-1-[2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-[2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-[2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-5-yl]ethanone is Cc1ccc(-c2ncco2)cc1-c1ncc(C(=O)Cc2c(F)cccc2F)s1.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-[2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-5-yl]ethanone?
The InChIKey is AZTRUFMBPYDEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O2S/c1-12-5-6-13(20-24-7-8-27-20)9-14(12)21-25-11-19(28-21)18(26)10-15-16(22)3-2-4-17(15)23/h2-9,11H,10H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-1-[2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-5-yl]ethanone?
2-(2,6-difluorophenyl)-1-[2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-5-yl]ethanone has a molecular weight of 396.42 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-[2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 157281989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).