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

C20H18F2N2OS — CID 6624156

IUPAC2,6-difluoro-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
SMILESCc1cccc(-c2nc(C)c(CCNC(=O)c3c(F)cccc3F)s2)c1
InChIInChI=1S/C20H18F2N2OS/c1-12-5-3-6-14(11-12)20-24-13(2)17(26-20)9-10-23-19(25)18-15(21)7-4-8-16(18)22/h3-8,11H,9-10H2,1-2H3,(H,23,25)
InChIKeyJQEPOMFRDDPCBR-UHFFFAOYSA-N
MW372.44 g/mol
LogP4.68
Rot. Bonds5

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

2,6-difluoro-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide (PubChem CID 6624156) has the molecular formula C20H18F2N2OS and a molecular weight of 372.44 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
PubChem CID6624156
Molecular FormulaC20H18F2N2OS
Molecular Weight372.44 g/mol
Exact Mass372.11
IUPAC Name2,6-difluoro-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
SMILESCc1cccc(-c2nc(C)c(CCNC(=O)c3c(F)cccc3F)s2)c1
InChIInChI=1S/C20H18F2N2OS/c1-12-5-3-6-14(11-12)20-24-13(2)17(26-20)9-10-23-19(25)18-15(21)7-4-8-16(18)22/h3-8,11H,9-10H2,1-2H3,(H,23,25)
InChIKeyJQEPOMFRDDPCBR-UHFFFAOYSA-N
XLogP4.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide (CID 6624156) is 2,6-difluoro-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide is Cc1cccc(-c2nc(C)c(CCNC(=O)c3c(F)cccc3F)s2)c1.
What is the InChIKey of 2,6-difluoro-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide?
The InChIKey is JQEPOMFRDDPCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2OS/c1-12-5-3-6-14(11-12)20-24-13(2)17(26-20)9-10-23-19(25)18-15(21)7-4-8-16(18)22/h3-8,11H,9-10H2,1-2H3,(H,23,25).
What are the key properties of 2,6-difluoro-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide?
2,6-difluoro-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide has a molecular weight of 372.44 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 6624156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).