4-(1,3-thiazol-4-ylmethoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide

C20H17F3N2O3S — CID 18277019

IUPAC4-(1,3-thiazol-4-ylmethoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C20H17F3N2O3S/c21-20(22,23)12-28-18-5-1-14(2-6-18)9-24-19(26)15-3-7-17(8-4-15)27-10-16-11-29-13-25-16/h1-8,11,13H,9-10,12H2,(H,24,26)
InChIKeyXPLODWGINIWUSY-UHFFFAOYSA-N
MW422.43 g/mol
LogP4.59
Rot. Bonds8

About 4-(1,3-thiazol-4-ylmethoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide

4-(1,3-thiazol-4-ylmethoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide (PubChem CID 18277019) has the molecular formula C20H17F3N2O3S and a molecular weight of 422.43 g/mol. Its IUPAC name is 4-(1,3-thiazol-4-ylmethoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(1,3-thiazol-4-ylmethoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
PubChem CID18277019
Molecular FormulaC20H17F3N2O3S
Molecular Weight422.43 g/mol
Exact Mass422.09
IUPAC Name4-(1,3-thiazol-4-ylmethoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C20H17F3N2O3S/c21-20(22,23)12-28-18-5-1-14(2-6-18)9-24-19(26)15-3-7-17(8-4-15)27-10-16-11-29-13-25-16/h1-8,11,13H,9-10,12H2,(H,24,26)
InChIKeyXPLODWGINIWUSY-UHFFFAOYSA-N
XLogP4.59
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 35008943
3,5-difluoro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30293255
N-[2-(3-fluorophenyl)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24550705
2-(1,3-thiazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 155969654
4-(1,2,4-triazol-1-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 18286168
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]furan-3-carboxamide
CID 18149564
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9046820
N-(2-hydroxy-2,3-dimethylpentyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 111477987
N-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 3749251
3-acetamido-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 86991144
N-[3-(3,4-dimethoxyphenyl)propyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86847757

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-4-ylmethoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The IUPAC name of 4-(1,3-thiazol-4-ylmethoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide (CID 18277019) is 4-(1,3-thiazol-4-ylmethoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(1,3-thiazol-4-ylmethoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 4-(1,3-thiazol-4-ylmethoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide is O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccc(OCc2cscn2)cc1.
What is the InChIKey of 4-(1,3-thiazol-4-ylmethoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The InChIKey is XPLODWGINIWUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O3S/c21-20(22,23)12-28-18-5-1-14(2-6-18)9-24-19(26)15-3-7-17(8-4-15)27-10-16-11-29-13-25-16/h1-8,11,13H,9-10,12H2,(H,24,26).
What are the key properties of 4-(1,3-thiazol-4-ylmethoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
4-(1,3-thiazol-4-ylmethoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide has a molecular weight of 422.43 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-4-ylmethoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 18277019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).