N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide

C20H19N3O3S — CID 46547565

IUPACN-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)Nc3cccc(NC(C)=O)c3)cs2)cc1
InChIInChI=1S/C20H19N3O3S/c1-3-26-17-9-7-14(8-10-17)20-23-18(12-27-20)19(25)22-16-6-4-5-15(11-16)21-13(2)24/h4-12H,3H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyIXJYEEXVWSGJGE-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.42
Rot. Bonds6

About N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide

N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 46547565) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID46547565
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)Nc3cccc(NC(C)=O)c3)cs2)cc1
InChIInChI=1S/C20H19N3O3S/c1-3-26-17-9-7-14(8-10-17)20-23-18(12-27-20)19(25)22-16-6-4-5-15(11-16)21-13(2)24/h4-12H,3H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyIXJYEEXVWSGJGE-UHFFFAOYSA-N
XLogP4.42
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46584283
2-(4-ethoxyphenyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55783786
2-(3-ethoxyphenyl)-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 46066487
2-(4-ethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 32609720
N-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 83285381
2-(4-methoxyphenyl)-N-[3-(pyridine-4-carbonylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 39186590
2-(4-ethoxyphenyl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 78861131
2-(4-methoxyphenyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 18146251
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
N-(3-chlorophenyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46067970
N-phenyl-2-(4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42865771
2-(4-ethoxyphenyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 55954553

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide (CID 46547565) is N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide is CCOc1ccc(-c2nc(C(=O)Nc3cccc(NC(C)=O)c3)cs2)cc1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is IXJYEEXVWSGJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-3-26-17-9-7-14(8-10-17)20-23-18(12-27-20)19(25)22-16-6-4-5-15(11-16)21-13(2)24/h4-12H,3H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide?
N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46547565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).