2-ethoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide

C21H22N2O3S — CID 7119214

IUPAC2-ethoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCc1csc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C21H22N2O3S/c1-3-26-19-7-5-4-6-18(19)20(24)22-13-12-16-14-27-21(23-16)15-8-10-17(25-2)11-9-15/h4-11,14H,3,12-13H2,1-2H3,(H,22,24)
InChIKeyWCHMWCOHVQMIGK-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.19
Rot. Bonds8

About 2-ethoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide

2-ethoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide (PubChem CID 7119214) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
PubChem CID7119214
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name2-ethoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCc1csc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C21H22N2O3S/c1-3-26-19-7-5-4-6-18(19)20(24)22-13-12-16-14-27-21(23-16)15-8-10-17(25-2)11-9-15/h4-11,14H,3,12-13H2,1-2H3,(H,22,24)
InChIKeyWCHMWCOHVQMIGK-UHFFFAOYSA-N
XLogP4.19
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-ethoxybenzamide
CID 7518325
2-butoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35574090
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-propoxybenzamide
CID 35541456
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dimethoxybenzamide
CID 7518434
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide
CID 35344893
ethyl N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]carbamate
CID 110317496
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 16591047
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide
CID 35345566
1,1-diethyl-3-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317498
2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35344742
2-hydroxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 162665630
3-chloro-2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 146152213

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide (CID 7119214) is 2-ethoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide is CCOc1ccccc1C(=O)NCCc1csc(-c2ccc(OC)cc2)n1.
What is the InChIKey of 2-ethoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The InChIKey is WCHMWCOHVQMIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-3-26-19-7-5-4-6-18(19)20(24)22-13-12-16-14-27-21(23-16)15-8-10-17(25-2)11-9-15/h4-11,14H,3,12-13H2,1-2H3,(H,22,24).
What are the key properties of 2-ethoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
2-ethoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide has a molecular weight of 382.49 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide is sourced from PubChem (CID 7119214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).