N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)benzamide

C19H14F4N2OS — CID 71795517

IUPACN-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)benzamide
SMILESCc1nc(-c2ccccc2F)sc1CNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H14F4N2OS/c1-11-16(27-18(25-11)13-7-3-5-9-15(13)20)10-24-17(26)12-6-2-4-8-14(12)19(21,22)23/h2-9H,10H2,1H3,(H,24,26)
InChIKeyIOAYHPSCLGMYCW-UHFFFAOYSA-N
MW394.39 g/mol
LogP5.21
Rot. Bonds4

About N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)benzamide

N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)benzamide (PubChem CID 71795517) has the molecular formula C19H14F4N2OS and a molecular weight of 394.39 g/mol. Its IUPAC name is N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)benzamide
PubChem CID71795517
Molecular FormulaC19H14F4N2OS
Molecular Weight394.39 g/mol
Exact Mass394.08
IUPAC NameN-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)benzamide
SMILESCc1nc(-c2ccccc2F)sc1CNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H14F4N2OS/c1-11-16(27-18(25-11)13-7-3-5-9-15(13)20)10-24-17(26)12-6-2-4-8-14(12)19(21,22)23/h2-9H,10H2,1H3,(H,24,26)
InChIKeyIOAYHPSCLGMYCW-UHFFFAOYSA-N
XLogP5.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.39
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,3-dimethoxybenzamide
CID 71795515
N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-thiophen-2-ylacetamide
CID 71795514
2-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide
CID 121123478
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-iodobenzamide
CID 121123060
2-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide
CID 71795631
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 108760187
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
CID 90546989
2-fluoro-N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]benzamide
CID 110645392
N-[(6-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 122263272
4-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
CID 90547060
(1S)-N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 97040606
2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
CID 7503026

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)benzamide (CID 71795517) is N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)benzamide is Cc1nc(-c2ccccc2F)sc1CNC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is IOAYHPSCLGMYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N2OS/c1-11-16(27-18(25-11)13-7-3-5-9-15(13)20)10-24-17(26)12-6-2-4-8-14(12)19(21,22)23/h2-9H,10H2,1H3,(H,24,26).
What are the key properties of N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)benzamide?
N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 394.39 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 71795517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).