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

C19H15F3N2O2S — CID 24573092

IUPAC3-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c1
InChIInChI=1S/C19H15F3N2O2S/c1-26-15-7-3-5-13(10-15)17(25)24-18-23-11-16(27-18)9-12-4-2-6-14(8-12)19(20,21)22/h2-8,10-11H,9H2,1H3,(H,23,24,25)
InChIKeyGOWJXFXDCTYGBW-UHFFFAOYSA-N
MW392.40 g/mol
LogP5.01
Rot. Bonds5

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

3-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 24573092) has the molecular formula C19H15F3N2O2S and a molecular weight of 392.40 g/mol. Its IUPAC name is 3-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID24573092
Molecular FormulaC19H15F3N2O2S
Molecular Weight392.40 g/mol
Exact Mass392.08
IUPAC Name3-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c1
InChIInChI=1S/C19H15F3N2O2S/c1-26-15-7-3-5-13(10-15)17(25)24-18-23-11-16(27-18)9-12-4-2-6-14(8-12)19(20,21)22/h2-8,10-11H,9H2,1H3,(H,23,24,25)
InChIKeyGOWJXFXDCTYGBW-UHFFFAOYSA-N
XLogP5.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.40
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide (CID 24573092) is 3-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide is COc1cccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c1.
What is the InChIKey of 3-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is GOWJXFXDCTYGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2S/c1-26-15-7-3-5-13(10-15)17(25)24-18-23-11-16(27-18)9-12-4-2-6-14(8-12)19(20,21)22/h2-8,10-11H,9H2,1H3,(H,23,24,25).
What are the key properties of 3-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
3-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 392.40 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 24573092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).