2,6-difluoro-N-[4-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]benzamide

C21H15F2N3O2S — CID 24765025

IUPAC2,6-difluoro-N-[4-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(-c2ncco2)cc1-c1sc(NC(=O)c2c(F)cccc2F)nc1C
InChIInChI=1S/C21H15F2N3O2S/c1-11-6-7-13(20-24-8-9-28-20)10-14(11)18-12(2)25-21(29-18)26-19(27)17-15(22)4-3-5-16(17)23/h3-10H,1-2H3,(H,25,26,27)
InChIKeyVKWISXSRLNKHAP-UHFFFAOYSA-N
MW411.43 g/mol
LogP5.61
Rot. Bonds4

About 2,6-difluoro-N-[4-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]benzamide

2,6-difluoro-N-[4-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 24765025) has the molecular formula C21H15F2N3O2S and a molecular weight of 411.43 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]benzamide
PubChem CID24765025
Molecular FormulaC21H15F2N3O2S
Molecular Weight411.43 g/mol
Exact Mass411.09
IUPAC Name2,6-difluoro-N-[4-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(-c2ncco2)cc1-c1sc(NC(=O)c2c(F)cccc2F)nc1C
InChIInChI=1S/C21H15F2N3O2S/c1-11-6-7-13(20-24-8-9-28-20)10-14(11)18-12(2)25-21(29-18)26-19(27)17-15(22)4-3-5-16(17)23/h3-10H,1-2H3,(H,25,26,27)
InChIKeyVKWISXSRLNKHAP-UHFFFAOYSA-N
XLogP5.61
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.43
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]benzamide (CID 24765025) is 2,6-difluoro-N-[4-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]benzamide is Cc1ccc(-c2ncco2)cc1-c1sc(NC(=O)c2c(F)cccc2F)nc1C.
What is the InChIKey of 2,6-difluoro-N-[4-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is VKWISXSRLNKHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O2S/c1-11-6-7-13(20-24-8-9-28-20)10-14(11)18-12(2)25-21(29-18)26-19(27)17-15(22)4-3-5-16(17)23/h3-10H,1-2H3,(H,25,26,27).
What are the key properties of 2,6-difluoro-N-[4-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]benzamide?
2,6-difluoro-N-[4-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 411.43 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 24765025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).