2-(4-ethoxyphenyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide

C25H22N4O3S — CID 55783786

IUPAC2-(4-ethoxyphenyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)Nc3cccc(C(=O)NCc4ccccn4)c3)cs2)cc1
InChIInChI=1S/C25H22N4O3S/c1-2-32-21-11-9-17(10-12-21)25-29-22(16-33-25)24(31)28-19-8-5-6-18(14-19)23(30)27-15-20-7-3-4-13-26-20/h3-14,16H,2,15H2,1H3,(H,27,30)(H,28,31)
InChIKeyINGXYIUOROJULA-UHFFFAOYSA-N
MW458.54 g/mol
LogP4.79
Rot. Bonds8

About 2-(4-ethoxyphenyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide

2-(4-ethoxyphenyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 55783786) has the molecular formula C25H22N4O3S and a molecular weight of 458.54 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID55783786
Molecular FormulaC25H22N4O3S
Molecular Weight458.54 g/mol
Exact Mass458.14
IUPAC Name2-(4-ethoxyphenyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)Nc3cccc(C(=O)NCc4ccccn4)c3)cs2)cc1
InChIInChI=1S/C25H22N4O3S/c1-2-32-21-11-9-17(10-12-21)25-29-22(16-33-25)24(31)28-19-8-5-6-18(14-19)23(30)27-15-20-7-3-4-13-26-20/h3-14,16H,2,15H2,1H3,(H,27,30)(H,28,31)
InChIKeyINGXYIUOROJULA-UHFFFAOYSA-N
XLogP4.79
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46547565
6-N-(4-ethoxyphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098190
2-(4-methoxyphenyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 18146251
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
2-(4-ethoxyphenyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 55954553
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 24512523
N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18197950
2-(4-ethoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 56558235
N-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 83285381
2,5-dimethoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55783848
2-(4-methoxyphenyl)-N-[3-(pyridine-4-carbonylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 39186590
2-(3-ethoxyphenyl)-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 46066487

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide (CID 55783786) is 2-(4-ethoxyphenyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide is CCOc1ccc(-c2nc(C(=O)Nc3cccc(C(=O)NCc4ccccn4)c3)cs2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is INGXYIUOROJULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3S/c1-2-32-21-11-9-17(10-12-21)25-29-22(16-33-25)24(31)28-19-8-5-6-18(14-19)23(30)27-15-20-7-3-4-13-26-20/h3-14,16H,2,15H2,1H3,(H,27,30)(H,28,31).
What are the key properties of 2-(4-ethoxyphenyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
2-(4-ethoxyphenyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 458.54 g/mol, XLogP of 4.79, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55783786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).