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

C20H17F3N2OS — CID 54670452

IUPAC2-methyl-4-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide
SMILESCc1cc(-c2sc(Cc3cccc(C(F)(F)F)c3)nc2C)ccc1C(N)=O
InChIInChI=1S/C20H17F3N2OS/c1-11-8-14(6-7-16(11)19(24)26)18-12(2)25-17(27-18)10-13-4-3-5-15(9-13)20(21,22)23/h3-9H,10H2,1-2H3,(H2,24,26)
InChIKeyUKNXMVOMSOXHFH-UHFFFAOYSA-N
MW390.43 g/mol
LogP5.14
Rot. Bonds4

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

2-methyl-4-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide (PubChem CID 54670452) has the molecular formula C20H17F3N2OS and a molecular weight of 390.43 g/mol. Its IUPAC name is 2-methyl-4-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide.

Molecular Properties

Compound Name2-methyl-4-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide
PubChem CID54670452
Molecular FormulaC20H17F3N2OS
Molecular Weight390.43 g/mol
Exact Mass390.10
IUPAC Name2-methyl-4-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide
SMILESCc1cc(-c2sc(Cc3cccc(C(F)(F)F)c3)nc2C)ccc1C(N)=O
InChIInChI=1S/C20H17F3N2OS/c1-11-8-14(6-7-16(11)19(24)26)18-12(2)25-17(27-18)10-13-4-3-5-15(9-13)20(21,22)23/h3-9H,10H2,1-2H3,(H2,24,26)
InChIKeyUKNXMVOMSOXHFH-UHFFFAOYSA-N
XLogP5.14
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.43
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide?
The IUPAC name of 2-methyl-4-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide (CID 54670452) is 2-methyl-4-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide.
What is the SMILES notation for 2-methyl-4-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide?
The canonical SMILES for 2-methyl-4-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide is Cc1cc(-c2sc(Cc3cccc(C(F)(F)F)c3)nc2C)ccc1C(N)=O.
What is the InChIKey of 2-methyl-4-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide?
The InChIKey is UKNXMVOMSOXHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2OS/c1-11-8-14(6-7-16(11)19(24)26)18-12(2)25-17(27-18)10-13-4-3-5-15(9-13)20(21,22)23/h3-9H,10H2,1-2H3,(H2,24,26).
What are the key properties of 2-methyl-4-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide?
2-methyl-4-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide has a molecular weight of 390.43 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide is sourced from PubChem (CID 54670452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).