N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenoxy)acetamide

C19H19N3O2S — CID 28861553

IUPACN-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2nc(-c3cccc(N)c3)cs2)cc1
InChIInChI=1S/C19H19N3O2S/c1-2-13-6-8-16(9-7-13)24-11-18(23)22-19-21-17(12-25-19)14-4-3-5-15(20)10-14/h3-10,12H,2,11,20H2,1H3,(H,21,22,23)
InChIKeyYRKDOZFXGUSQSN-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.97
Rot. Bonds6

About N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenoxy)acetamide

N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenoxy)acetamide (PubChem CID 28861553) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenoxy)acetamide
PubChem CID28861553
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2nc(-c3cccc(N)c3)cs2)cc1
InChIInChI=1S/C19H19N3O2S/c1-2-13-6-8-16(9-7-13)24-11-18(23)22-19-21-17(12-25-19)14-4-3-5-15(20)10-14/h3-10,12H,2,11,20H2,1H3,(H,21,22,23)
InChIKeyYRKDOZFXGUSQSN-UHFFFAOYSA-N
XLogP3.97
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-ethylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196482
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-ethylphenoxy)acetamide
CID 28865252
2-(3-chlorophenoxy)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 16549939
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-ethylphenoxy)acetamide
CID 19197029
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 28861460
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43951157
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 28861376
2-(4-methoxyphenoxy)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 7917274
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 18278481
[4-(3-aminophenyl)-1,3-thiazol-2-yl]urea
CID 43551246
2-(4-propylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 19227652
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-propylphenoxy)acetamide
CID 19178451

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenoxy)acetamide (CID 28861553) is N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)Nc2nc(-c3cccc(N)c3)cs2)cc1.
What is the InChIKey of N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenoxy)acetamide?
The InChIKey is YRKDOZFXGUSQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-2-13-6-8-16(9-7-13)24-11-18(23)22-19-21-17(12-25-19)14-4-3-5-15(20)10-14/h3-10,12H,2,11,20H2,1H3,(H,21,22,23).
What are the key properties of N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenoxy)acetamide?
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenoxy)acetamide has a molecular weight of 353.45 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 28861553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).