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

C19H18N2O3S — CID 51124164

IUPACN-methyl-4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]benzamide
SMILESCNC(=O)c1ccc(OCc2csc(COc3ccccc3)n2)cc1
InChIInChI=1S/C19H18N2O3S/c1-20-19(22)14-7-9-17(10-8-14)23-11-15-13-25-18(21-15)12-24-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyPEMJTNZVFLKSIX-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.66
Rot. Bonds7

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

N-methyl-4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]benzamide (PubChem CID 51124164) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-methyl-4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]benzamide
PubChem CID51124164
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-methyl-4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]benzamide
SMILESCNC(=O)c1ccc(OCc2csc(COc3ccccc3)n2)cc1
InChIInChI=1S/C19H18N2O3S/c1-20-19(22)14-7-9-17(10-8-14)23-11-15-13-25-18(21-15)12-24-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyPEMJTNZVFLKSIX-UHFFFAOYSA-N
XLogP3.66
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 9158663
N-methyl-4-phenylmethoxybenzamide
CID 2996745
N-benzyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094285
4-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methoxy]-N-methylbenzamide
CID 56783700
N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043200
2-methyl-N-[[4-(phenoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62454477
N-[2-(dimethylamino)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110316414
(2R)-3-methyl-2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]butanoic acid
CID 120511103
N-[(2S)-butan-2-yl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 51662756
N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-4-ethoxybenzohydrazide
CID 38710487
N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094418
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-hexoxybenzamide
CID 108760512

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]benzamide?
The IUPAC name of N-methyl-4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]benzamide (CID 51124164) is N-methyl-4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]benzamide.
What is the SMILES notation for N-methyl-4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]benzamide?
The canonical SMILES for N-methyl-4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]benzamide is CNC(=O)c1ccc(OCc2csc(COc3ccccc3)n2)cc1.
What is the InChIKey of N-methyl-4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]benzamide?
The InChIKey is PEMJTNZVFLKSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-20-19(22)14-7-9-17(10-8-14)23-11-15-13-25-18(21-15)12-24-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,20,22).
What are the key properties of N-methyl-4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]benzamide?
N-methyl-4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]benzamide has a molecular weight of 354.43 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]benzamide is sourced from PubChem (CID 51124164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).