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

C20H17F3N2OS — CID 45268434

IUPAC3,4-dimethyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1C
InChIInChI=1S/C20H17F3N2OS/c1-12-6-7-15(8-13(12)2)18(26)25-19-24-11-17(27-19)10-14-4-3-5-16(9-14)20(21,22)23/h3-9,11H,10H2,1-2H3,(H,24,25,26)
InChIKeySRTIFFMEKJLELZ-UHFFFAOYSA-N
MW390.43 g/mol
LogP5.62
Rot. Bonds4

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

3,4-dimethyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 45268434) has the molecular formula C20H17F3N2OS and a molecular weight of 390.43 g/mol. Its IUPAC name is 3,4-dimethyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID45268434
Molecular FormulaC20H17F3N2OS
Molecular Weight390.43 g/mol
Exact Mass390.10
IUPAC Name3,4-dimethyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1C
InChIInChI=1S/C20H17F3N2OS/c1-12-6-7-15(8-13(12)2)18(26)25-19-24-11-17(27-19)10-14-4-3-5-16(9-14)20(21,22)23/h3-9,11H,10H2,1-2H3,(H,24,25,26)
InChIKeySRTIFFMEKJLELZ-UHFFFAOYSA-N
XLogP5.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.43
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide (CID 45268434) is 3,4-dimethyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide is Cc1ccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is SRTIFFMEKJLELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2OS/c1-12-6-7-15(8-13(12)2)18(26)25-19-24-11-17(27-19)10-14-4-3-5-16(9-14)20(21,22)23/h3-9,11H,10H2,1-2H3,(H,24,25,26).
What are the key properties of 3,4-dimethyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
3,4-dimethyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 390.43 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 45268434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).