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

C24H17F2NOS — CID 159894416

IUPAC1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]phenyl]ethanone
SMILESCc1ccc(-c2nccs2)cc1-c1ccc(CC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C24H17F2NOS/c1-15-5-8-18(24-27-11-12-29-24)14-19(15)17-9-6-16(7-10-17)13-22(28)23-20(25)3-2-4-21(23)26/h2-12,14H,13H2,1H3
InChIKeyPNLIVEMWFGRAML-UHFFFAOYSA-N
MW405.47 g/mol
LogP6.49
Rot. Bonds5

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

1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]phenyl]ethanone (PubChem CID 159894416) has the molecular formula C24H17F2NOS and a molecular weight of 405.47 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]phenyl]ethanone
PubChem CID159894416
Molecular FormulaC24H17F2NOS
Molecular Weight405.47 g/mol
Exact Mass405.10
IUPAC Name1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]phenyl]ethanone
SMILESCc1ccc(-c2nccs2)cc1-c1ccc(CC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C24H17F2NOS/c1-15-5-8-18(24-27-11-12-29-24)14-19(15)17-9-6-16(7-10-17)13-22(28)23-20(25)3-2-4-21(23)26/h2-12,14H,13H2,1H3
InChIKeyPNLIVEMWFGRAML-UHFFFAOYSA-N
XLogP6.49
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.47
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]phenyl]ethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]phenyl]ethanone (CID 159894416) is 1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]phenyl]ethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]phenyl]ethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]phenyl]ethanone is Cc1ccc(-c2nccs2)cc1-c1ccc(CC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]phenyl]ethanone?
The InChIKey is PNLIVEMWFGRAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2NOS/c1-15-5-8-18(24-27-11-12-29-24)14-19(15)17-9-6-16(7-10-17)13-22(28)23-20(25)3-2-4-21(23)26/h2-12,14H,13H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]phenyl]ethanone?
1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]phenyl]ethanone has a molecular weight of 405.47 g/mol, XLogP of 6.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]phenyl]ethanone is sourced from PubChem (CID 159894416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).