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

C19H18N2O2S — CID 121094285

IUPACN-benzyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
SMILESCc1csc(COc2ccc(C(=O)NCc3ccccc3)cc2)n1
InChIInChI=1S/C19H18N2O2S/c1-14-13-24-18(21-14)12-23-17-9-7-16(8-10-17)19(22)20-11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyWAHYHKVCCRCGFP-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.96
Rot. Bonds6

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

N-benzyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide (PubChem CID 121094285) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-benzyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
PubChem CID121094285
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-benzyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
SMILESCc1csc(COc2ccc(C(=O)NCc3ccccc3)cc2)n1
InChIInChI=1S/C19H18N2O2S/c1-14-13-24-18(21-14)12-23-17-9-7-16(8-10-17)19(22)20-11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyWAHYHKVCCRCGFP-UHFFFAOYSA-N
XLogP3.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094385
N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043200
4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 121094244
4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-propylbenzamide
CID 121094272
N-butan-2-yl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094276
2-[(4-chlorophenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 37155823
N-cyclohexyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094282
N-benzyl-4-methyl-1,3-thiazole-2-carboxamide
CID 10399050
4-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709490
N-methyl-4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]benzamide
CID 51124164
N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9046820
N-(3-fluorophenyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094316

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide?
The IUPAC name of N-benzyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide (CID 121094285) is N-benzyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide.
What is the SMILES notation for N-benzyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide?
The canonical SMILES for N-benzyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide is Cc1csc(COc2ccc(C(=O)NCc3ccccc3)cc2)n1.
What is the InChIKey of N-benzyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide?
The InChIKey is WAHYHKVCCRCGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-14-13-24-18(21-14)12-23-17-9-7-16(8-10-17)19(22)20-11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,22).
What are the key properties of N-benzyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide?
N-benzyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide has a molecular weight of 338.43 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide is sourced from PubChem (CID 121094285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).