N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide

C20H19N3O4S — CID 2715690

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1
InChIInChI=1S/C20H19N3O4S/c1-13(24)21-15-5-3-14(4-6-15)18-12-28-20(22-18)23-19(25)11-27-17-9-7-16(26-2)8-10-17/h3-10,12H,11H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyKKASVAMZJVSWPY-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.79
Rot. Bonds7

About N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 2715690) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
PubChem CID2715690
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1
InChIInChI=1S/C20H19N3O4S/c1-13(24)21-15-5-3-14(4-6-15)18-12-28-20(22-18)23-19(25)11-27-17-9-7-16(26-2)8-10-17/h3-10,12H,11H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyKKASVAMZJVSWPY-UHFFFAOYSA-N
XLogP3.79
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 9100810
2-(4-methoxyphenoxy)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 7917274
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-acetylphenoxy)acetamide
CID 4826568
2-(3-acetylphenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 7937389
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 2715692
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 3986058
3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 2090742
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 19197421
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] nitrate
CID 155808446
4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 47019644
(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 41190342
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenylphenoxy)acetamide
CID 7948013

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide (CID 2715690) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is KKASVAMZJVSWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-13(24)21-15-5-3-14(4-6-15)18-12-28-20(22-18)23-19(25)11-27-17-9-7-16(26-2)8-10-17/h3-10,12H,11H2,1-2H3,(H,21,24)(H,22,23,25).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 397.46 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 2715690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).