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

C20H18F2N2O2S — CID 7222753

IUPAC2,6-difluoro-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
SMILESCOc1ccc(-c2nc(C)c(CCNC(=O)c3c(F)cccc3F)s2)cc1
InChIInChI=1S/C20H18F2N2O2S/c1-12-17(27-20(24-12)13-6-8-14(26-2)9-7-13)10-11-23-19(25)18-15(21)4-3-5-16(18)22/h3-9H,10-11H2,1-2H3,(H,23,25)
InChIKeyMKFYNCNMKPHUMY-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.38
Rot. Bonds6

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

2,6-difluoro-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide (PubChem CID 7222753) has the molecular formula C20H18F2N2O2S and a molecular weight of 388.44 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
PubChem CID7222753
Molecular FormulaC20H18F2N2O2S
Molecular Weight388.44 g/mol
Exact Mass388.11
IUPAC Name2,6-difluoro-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
SMILESCOc1ccc(-c2nc(C)c(CCNC(=O)c3c(F)cccc3F)s2)cc1
InChIInChI=1S/C20H18F2N2O2S/c1-12-17(27-20(24-12)13-6-8-14(26-2)9-7-13)10-11-23-19(25)18-15(21)4-3-5-16(18)22/h3-9H,10-11H2,1-2H3,(H,23,25)
InChIKeyMKFYNCNMKPHUMY-UHFFFAOYSA-N
XLogP4.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide (CID 7222753) is 2,6-difluoro-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide is COc1ccc(-c2nc(C)c(CCNC(=O)c3c(F)cccc3F)s2)cc1.
What is the InChIKey of 2,6-difluoro-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide?
The InChIKey is MKFYNCNMKPHUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2S/c1-12-17(27-20(24-12)13-6-8-14(26-2)9-7-13)10-11-23-19(25)18-15(21)4-3-5-16(18)22/h3-9H,10-11H2,1-2H3,(H,23,25).
What are the key properties of 2,6-difluoro-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide?
2,6-difluoro-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide has a molecular weight of 388.44 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 7222753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).