N-[2-(N-methylanilino)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide

C20H21N3O2S — CID 86911822

IUPACN-[2-(N-methylanilino)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCN(CCNC(=O)c1ccccc1OCc1cscn1)c1ccccc1
InChIInChI=1S/C20H21N3O2S/c1-23(17-7-3-2-4-8-17)12-11-21-20(24)18-9-5-6-10-19(18)25-13-16-14-26-15-22-16/h2-10,14-15H,11-13H2,1H3,(H,21,24)
InChIKeyOYYHHZVGMHKLGL-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.59
Rot. Bonds8

About N-[2-(N-methylanilino)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide

N-[2-(N-methylanilino)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 86911822) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[2-(N-methylanilino)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(N-methylanilino)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID86911822
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[2-(N-methylanilino)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCN(CCNC(=O)c1ccccc1OCc1cscn1)c1ccccc1
InChIInChI=1S/C20H21N3O2S/c1-23(17-7-3-2-4-8-17)12-11-21-20(24)18-9-5-6-10-19(18)25-13-16-14-26-15-22-16/h2-10,14-15H,11-13H2,1H3,(H,21,24)
InChIKeyOYYHHZVGMHKLGL-UHFFFAOYSA-N
XLogP3.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-[2-(N-methylanilino)ethyl]benzamide
CID 25395275
N-[2-(2,6-difluorophenyl)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87006938
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86853124
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 111698025
2-ethoxy-N-[2-[2-(N-methylanilino)ethylamino]-2-oxoethyl]benzamide
CID 25396087
N'-(2-methylpropanoyl)-2-(1,3-thiazol-4-ylmethoxy)benzohydrazide
CID 78823301
N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 124734628
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78816299
2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346216
N-[(4-methylsulfonylphenyl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78872865
N-[[2-(propoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87006475
N-(4-fluorophenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86907828

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylanilino)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[2-(N-methylanilino)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide (CID 86911822) is N-[2-(N-methylanilino)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(N-methylanilino)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(N-methylanilino)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide is CN(CCNC(=O)c1ccccc1OCc1cscn1)c1ccccc1.
What is the InChIKey of N-[2-(N-methylanilino)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is OYYHHZVGMHKLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-23(17-7-3-2-4-8-17)12-11-21-20(24)18-9-5-6-10-19(18)25-13-16-14-26-15-22-16/h2-10,14-15H,11-13H2,1H3,(H,21,24).
What are the key properties of N-[2-(N-methylanilino)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[2-(N-methylanilino)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 367.47 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-methylanilino)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 86911822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).