2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide

C23H22N4O2S — CID 46424002

IUPAC2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESCCOc1ccc(-c2nc(CC(=O)Nc3cccc(Cn4cccn4)c3)cs2)cc1
InChIInChI=1S/C23H22N4O2S/c1-2-29-21-9-7-18(8-10-21)23-26-20(16-30-23)14-22(28)25-19-6-3-5-17(13-19)15-27-12-4-11-24-27/h3-13,16H,2,14-15H2,1H3,(H,25,28)
InChIKeyPDSLYCYLCXOCJB-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.63
Rot. Bonds8

About 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide

2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide (PubChem CID 46424002) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
PubChem CID46424002
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESCCOc1ccc(-c2nc(CC(=O)Nc3cccc(Cn4cccn4)c3)cs2)cc1
InChIInChI=1S/C23H22N4O2S/c1-2-29-21-9-7-18(8-10-21)23-26-20(16-30-23)14-22(28)25-19-6-3-5-17(13-19)15-27-12-4-11-24-27/h3-13,16H,2,14-15H2,1H3,(H,25,28)
InChIKeyPDSLYCYLCXOCJB-UHFFFAOYSA-N
XLogP4.63
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46584283
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-methylimidazol-2-yl)phenyl]acetamide
CID 60557191
2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39694973
ethyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 39631537
2-(4-ethoxyphenyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 55954553
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
2-(4-ethoxyphenyl)sulfanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55610898
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 55658227
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46402400
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585965
N-(3-acetamido-4-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 37081428
2-methyl-N-[4-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 55760523

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide (CID 46424002) is 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide is CCOc1ccc(-c2nc(CC(=O)Nc3cccc(Cn4cccn4)c3)cs2)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The InChIKey is PDSLYCYLCXOCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-2-29-21-9-7-18(8-10-21)23-26-20(16-30-23)14-22(28)25-19-6-3-5-17(13-19)15-27-12-4-11-24-27/h3-13,16H,2,14-15H2,1H3,(H,25,28).
What are the key properties of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide has a molecular weight of 418.52 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 46424002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).