2-benzyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide

C24H20N2O2S — CID 2476012

IUPAC2-benzyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(COc2ccccc2)cs1)c1ccccc1Cc1ccccc1
InChIInChI=1S/C24H20N2O2S/c27-23(22-14-8-7-11-19(22)15-18-9-3-1-4-10-18)26-24-25-20(17-29-24)16-28-21-12-5-2-6-13-21/h1-14,17H,15-16H2,(H,25,26,27)
InChIKeyLGGWYJKGPGUYAL-UHFFFAOYSA-N
MW400.50 g/mol
LogP5.57
Rot. Bonds7

About 2-benzyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide

2-benzyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 2476012) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-benzyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-benzyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide
PubChem CID2476012
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC Name2-benzyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(COc2ccccc2)cs1)c1ccccc1Cc1ccccc1
InChIInChI=1S/C24H20N2O2S/c27-23(22-14-8-7-11-19(22)15-18-9-3-1-4-10-18)26-24-25-20(17-29-24)16-28-21-12-5-2-6-13-21/h1-14,17H,15-16H2,(H,25,26,27)
InChIKeyLGGWYJKGPGUYAL-UHFFFAOYSA-N
XLogP5.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide
CID 24646052
2-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)benzamide
CID 16551592
2-methyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 167925938
2-benzyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide
CID 32865615
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide
CID 35888051
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide
CID 55372945
2-benzyl-N-(4-phenoxyphenyl)benzamide
CID 7914966
ethyl 2-[2-[[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 24599388
N-[4-[2-(3-benzyl-4-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 55719652
ethyl 2-[2-[(5-benzyl-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 60620637
2-fluoro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 55704463
N-[4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 2100834

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-benzyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide (CID 2476012) is 2-benzyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-benzyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-benzyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(COc2ccccc2)cs1)c1ccccc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is LGGWYJKGPGUYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2S/c27-23(22-14-8-7-11-19(22)15-18-9-3-1-4-10-18)26-24-25-20(17-29-24)16-28-21-12-5-2-6-13-21/h1-14,17H,15-16H2,(H,25,26,27).
What are the key properties of 2-benzyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide?
2-benzyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 400.50 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 2476012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).