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

C20H15F2N3O2S — CID 71158533

IUPAC2,6-difluoro-N-[4-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]benzamide
SMILESCC1N=C(c2ncco2)SC1c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C20H15F2N3O2S/c1-11-17(28-20(24-11)19-23-9-10-27-19)12-5-7-13(8-6-12)25-18(26)16-14(21)3-2-4-15(16)22/h2-11,17H,1H3,(H,25,26)
InChIKeyHNSNLHAJKZEKRH-UHFFFAOYSA-N
MW399.42 g/mol
LogP4.83
Rot. Bonds4

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

2,6-difluoro-N-[4-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]benzamide (PubChem CID 71158533) has the molecular formula C20H15F2N3O2S and a molecular weight of 399.42 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]benzamide
PubChem CID71158533
Molecular FormulaC20H15F2N3O2S
Molecular Weight399.42 g/mol
Exact Mass399.09
IUPAC Name2,6-difluoro-N-[4-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]benzamide
SMILESCC1N=C(c2ncco2)SC1c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C20H15F2N3O2S/c1-11-17(28-20(24-11)19-23-9-10-27-19)12-5-7-13(8-6-12)25-18(26)16-14(21)3-2-4-15(16)22/h2-11,17H,1H3,(H,25,26)
InChIKeyHNSNLHAJKZEKRH-UHFFFAOYSA-N
XLogP4.83
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 54.83
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-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]benzamide (CID 71158533) is 2,6-difluoro-N-[4-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]benzamide is CC1N=C(c2ncco2)SC1c1ccc(NC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 2,6-difluoro-N-[4-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]benzamide?
The InChIKey is HNSNLHAJKZEKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O2S/c1-11-17(28-20(24-11)19-23-9-10-27-19)12-5-7-13(8-6-12)25-18(26)16-14(21)3-2-4-15(16)22/h2-11,17H,1H3,(H,25,26).
What are the key properties of 2,6-difluoro-N-[4-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]benzamide?
2,6-difluoro-N-[4-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]benzamide has a molecular weight of 399.42 g/mol, XLogP of 4.83, 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-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 71158533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).