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

C18H11F5N2O2S — CID 46535749

IUPAC2,4-difluoro-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1)c1ccc(F)cc1F
InChIInChI=1S/C18H11F5N2O2S/c19-11-3-6-14(15(20)8-11)16(26)25-17-24-9-13(28-17)7-10-1-4-12(5-2-10)27-18(21,22)23/h1-6,8-9H,7H2,(H,24,25,26)
InChIKeyRDVXHXNZIXUITL-UHFFFAOYSA-N
MW414.36 g/mol
LogP5.16
Rot. Bonds5

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

2,4-difluoro-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 46535749) has the molecular formula C18H11F5N2O2S and a molecular weight of 414.36 g/mol. Its IUPAC name is 2,4-difluoro-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID46535749
Molecular FormulaC18H11F5N2O2S
Molecular Weight414.36 g/mol
Exact Mass414.05
IUPAC Name2,4-difluoro-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1)c1ccc(F)cc1F
InChIInChI=1S/C18H11F5N2O2S/c19-11-3-6-14(15(20)8-11)16(26)25-17-24-9-13(28-17)7-10-1-4-12(5-2-10)27-18(21,22)23/h1-6,8-9H,7H2,(H,24,25,26)
InChIKeyRDVXHXNZIXUITL-UHFFFAOYSA-N
XLogP5.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.36
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 7535959
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxy-4-methoxybenzamide
CID 55438043
N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 46535713
4-(acetamidomethyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 46535692
2-(4-methoxyphenyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 46535725
2-(2-methoxyethoxy)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 43047806
4-(2-acetamidoethyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 30685595
7-methyl-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 25494728
(3S)-2-phenyl-5-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 25473080
7-fluoro-2-methyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide
CID 24567233
N-[4-[[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]-2,4-difluorobenzamide
CID 42353957
N-[1-oxo-1-[[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]furan-2-carboxamide
CID 42942421

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2,4-difluoro-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]benzamide (CID 46535749) is 2,4-difluoro-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]benzamide is O=C(Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is RDVXHXNZIXUITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F5N2O2S/c19-11-3-6-14(15(20)8-11)16(26)25-17-24-9-13(28-17)7-10-1-4-12(5-2-10)27-18(21,22)23/h1-6,8-9H,7H2,(H,24,25,26).
What are the key properties of 2,4-difluoro-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
2,4-difluoro-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 414.36 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 46535749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).