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

C20H18F2N2O2S — CID 7222751

IUPAC3,4-difluoro-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
SMILESCOc1ccc(-c2nc(C)c(CCNC(=O)c3ccc(F)c(F)c3)s2)cc1
InChIInChI=1S/C20H18F2N2O2S/c1-12-18(27-20(24-12)13-3-6-15(26-2)7-4-13)9-10-23-19(25)14-5-8-16(21)17(22)11-14/h3-8,11H,9-10H2,1-2H3,(H,23,25)
InChIKeyLCLZWGOXNQJUJH-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.38
Rot. Bonds6

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

3,4-difluoro-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide (PubChem CID 7222751) has the molecular formula C20H18F2N2O2S and a molecular weight of 388.44 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
PubChem CID7222751
Molecular FormulaC20H18F2N2O2S
Molecular Weight388.44 g/mol
Exact Mass388.11
IUPAC Name3,4-difluoro-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
SMILESCOc1ccc(-c2nc(C)c(CCNC(=O)c3ccc(F)c(F)c3)s2)cc1
InChIInChI=1S/C20H18F2N2O2S/c1-12-18(27-20(24-12)13-3-6-15(26-2)7-4-13)9-10-23-19(25)14-5-8-16(21)17(22)11-14/h3-8,11H,9-10H2,1-2H3,(H,23,25)
InChIKeyLCLZWGOXNQJUJH-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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Related Compounds

N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,5-dimethylbenzamide
CID 7503000
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 7517999
3,5-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 7502958
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybenzamide
CID 7222729
N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-fluorobenzamide
CID 7503013
3-chloro-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7207716
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 7207758
3,4-difluoro-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321955
N'-(3,5-dimethylphenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide
CID 7222985
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,4,5-triethoxybenzamide
CID 20965668
2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
CID 7503026
4-chloro-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7222771

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide (CID 7222751) is 3,4-difluoro-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide is COc1ccc(-c2nc(C)c(CCNC(=O)c3ccc(F)c(F)c3)s2)cc1.
What is the InChIKey of 3,4-difluoro-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide?
The InChIKey is LCLZWGOXNQJUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2S/c1-12-18(27-20(24-12)13-3-6-15(26-2)7-4-13)9-10-23-19(25)14-5-8-16(21)17(22)11-14/h3-8,11H,9-10H2,1-2H3,(H,23,25).
What are the key properties of 3,4-difluoro-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide?
3,4-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 3,4-difluoro-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 7222751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).