N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-ethoxyphenoxy)acetamide

C19H19N3O3S — CID 28865232

IUPACN-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)Nc2ccccc2-c2csc(N)n2)cc1
InChIInChI=1S/C19H19N3O3S/c1-2-24-13-7-9-14(10-8-13)25-11-18(23)21-16-6-4-3-5-15(16)17-12-26-19(20)22-17/h3-10,12H,2,11H2,1H3,(H2,20,22)(H,21,23)
InChIKeyFQRIDILDMJYGDH-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.81
Rot. Bonds7

About N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-ethoxyphenoxy)acetamide

N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-ethoxyphenoxy)acetamide (PubChem CID 28865232) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-ethoxyphenoxy)acetamide
PubChem CID28865232
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)Nc2ccccc2-c2csc(N)n2)cc1
InChIInChI=1S/C19H19N3O3S/c1-2-24-13-7-9-14(10-8-13)25-11-18(23)21-16-6-4-3-5-15(16)17-12-26-19(20)22-17/h3-10,12H,2,11H2,1H3,(H2,20,22)(H,21,23)
InChIKeyFQRIDILDMJYGDH-UHFFFAOYSA-N
XLogP3.81
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-ethoxyphenoxy)acetamide?
The IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-ethoxyphenoxy)acetamide (CID 28865232) is N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-ethoxyphenoxy)acetamide?
The canonical SMILES for N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-ethoxyphenoxy)acetamide is CCOc1ccc(OCC(=O)Nc2ccccc2-c2csc(N)n2)cc1.
What is the InChIKey of N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-ethoxyphenoxy)acetamide?
The InChIKey is FQRIDILDMJYGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-2-24-13-7-9-14(10-8-13)25-11-18(23)21-16-6-4-3-5-15(16)17-12-26-19(20)22-17/h3-10,12H,2,11H2,1H3,(H2,20,22)(H,21,23).
What are the key properties of N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-ethoxyphenoxy)acetamide?
N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-ethoxyphenoxy)acetamide has a molecular weight of 369.45 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-ethoxyphenoxy)acetamide is sourced from PubChem (CID 28865232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).