N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide

C24H20N2O2S — CID 2229002

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C24H20N2O2S/c27-23(26-24-25-16-20(29-24)15-18-9-3-1-4-10-18)21-13-7-8-14-22(21)28-17-19-11-5-2-6-12-19/h1-14,16H,15,17H2,(H,25,26,27)
InChIKeyBQKBMRPQQQZOQT-UHFFFAOYSA-N
MW400.50 g/mol
LogP5.57
Rot. Bonds7

About N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide

N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide (PubChem CID 2229002) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide
PubChem CID2229002
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C24H20N2O2S/c27-23(26-24-25-16-20(29-24)15-18-9-3-1-4-10-18)21-13-7-8-14-22(21)28-17-19-11-5-2-6-12-19/h1-14,16H,15,17H2,(H,25,26,27)
InChIKeyBQKBMRPQQQZOQT-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

2-methoxy-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2558548
N-(5-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4527908
2-methoxy-4-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide
CID 669871
N-(5-(4-methoxybenzyl)thiazol-2-yl)thiophene-2-carboxamide
CID 779445
2-(Acetyloxy)-N-(5-chloro-2-thiazolyl)benzamide
CID 53309690
2-ethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 652520
4-(difluoromethoxy)-N-[5-[[4-(difluoromethylthio)phenyl]methyl]-2-thiazolyl]benzamide
CID 2320375
2-ethoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 16015983
3-methoxy-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)benzamide
CID 24573092
N-hydroxy-4-(((2-phenoxyethyl)(5-p-tolylthiazol-2-yl)amino)methyl)benzamide
CID 45102716
N-hydroxy-4-(((2-(p-tolyloxy)ethyl)(5-p-tolylthiazol-2-yl)amino)methyl)benzamide
CID 45102721
N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(4-phenoxybutyl)amino]methyl]benzamide
CID 45102722

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide (CID 2229002) is N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide is O=C(Nc1ncc(Cc2ccccc2)s1)c1ccccc1OCc1ccccc1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide?
The InChIKey is BQKBMRPQQQZOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2S/c27-23(26-24-25-16-20(29-24)15-18-9-3-1-4-10-18)21-13-7-8-14-22(21)28-17-19-11-5-2-6-12-19/h1-14,16H,15,17H2,(H,25,26,27).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide?
N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide 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 N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylmethoxybenzamide is sourced from PubChem (CID 2229002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).