3-(2-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)propanamide

C13H15N3O2S — CID 61283637

IUPAC3-(2-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)propanamide
SMILESNc1ccccc1OCCC(=O)NCc1nccs1
InChIInChI=1S/C13H15N3O2S/c14-10-3-1-2-4-11(10)18-7-5-12(17)16-9-13-15-6-8-19-13/h1-4,6,8H,5,7,9,14H2,(H,16,17)
InChIKeyAMFDZTKJCOKETM-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.81
Rot. Bonds6

About 3-(2-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)propanamide

3-(2-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)propanamide (PubChem CID 61283637) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-(2-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)propanamide
PubChem CID61283637
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name3-(2-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)propanamide
SMILESNc1ccccc1OCCC(=O)NCc1nccs1
InChIInChI=1S/C13H15N3O2S/c14-10-3-1-2-4-11(10)18-7-5-12(17)16-9-13-15-6-8-19-13/h1-4,6,8H,5,7,9,14H2,(H,16,17)
InChIKeyAMFDZTKJCOKETM-UHFFFAOYSA-N
XLogP1.81
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 61284856
3-(2-aminophenoxy)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 63239032
2-(2-aminophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 16772949
N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)propanamide
CID 61091283
3-(2-aminophenoxy)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106391378
methyl 3-[3-(2-aminophenoxy)propanoylamino]propanoate
CID 61104247
2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110442320
3-bromo-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 82110922
3-(2-aminophenoxy)-N-pentylpropanamide
CID 61090081
N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 67124836
2-methoxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110443918
4-(2-aminophenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 84553695

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)propanamide?
The IUPAC name of 3-(2-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)propanamide (CID 61283637) is 3-(2-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)propanamide?
The canonical SMILES for 3-(2-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)propanamide is Nc1ccccc1OCCC(=O)NCc1nccs1.
What is the InChIKey of 3-(2-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)propanamide?
The InChIKey is AMFDZTKJCOKETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c14-10-3-1-2-4-11(10)18-7-5-12(17)16-9-13-15-6-8-19-13/h1-4,6,8H,5,7,9,14H2,(H,16,17).
What are the key properties of 3-(2-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)propanamide?
3-(2-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)propanamide has a molecular weight of 277.35 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)propanamide is sourced from PubChem (CID 61283637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).