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

C15H19N3O3S — CID 110450950

IUPAC2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccc(OCCNC(=O)Cc2csc(CN)n2)cc1
InChIInChI=1S/C15H19N3O3S/c1-20-12-2-4-13(5-3-12)21-7-6-17-14(19)8-11-10-22-15(9-16)18-11/h2-5,10H,6-9,16H2,1H3,(H,17,19)
InChIKeyYYOVTUIZQOYXNZ-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.35
Rot. Bonds8

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

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenoxy)ethyl]acetamide (PubChem CID 110450950) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
PubChem CID110450950
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccc(OCCNC(=O)Cc2csc(CN)n2)cc1
InChIInChI=1S/C15H19N3O3S/c1-20-12-2-4-13(5-3-12)21-7-6-17-14(19)8-11-10-22-15(9-16)18-11/h2-5,10H,6-9,16H2,1H3,(H,17,19)
InChIKeyYYOVTUIZQOYXNZ-UHFFFAOYSA-N
XLogP1.35
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The IUPAC name of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenoxy)ethyl]acetamide (CID 110450950) is 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenoxy)ethyl]acetamide is COc1ccc(OCCNC(=O)Cc2csc(CN)n2)cc1.
What is the InChIKey of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The InChIKey is YYOVTUIZQOYXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-20-12-2-4-13(5-3-12)21-7-6-17-14(19)8-11-10-22-15(9-16)18-11/h2-5,10H,6-9,16H2,1H3,(H,17,19).
What are the key properties of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenoxy)ethyl]acetamide has a molecular weight of 321.40 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenoxy)ethyl]acetamide is sourced from PubChem (CID 110450950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).