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

C12H13N3O2S — CID 61283448

IUPAC2-(3-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESNc1cccc(OCC(=O)NCc2nccs2)c1
InChIInChI=1S/C12H13N3O2S/c13-9-2-1-3-10(6-9)17-8-11(16)15-7-12-14-4-5-18-12/h1-6H,7-8,13H2,(H,15,16)
InChIKeyJLDFWYUGDVUZLE-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.42
Rot. Bonds5

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

2-(3-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide (PubChem CID 61283448) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide
PubChem CID61283448
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-(3-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESNc1cccc(OCC(=O)NCc2nccs2)c1
InChIInChI=1S/C12H13N3O2S/c13-9-2-1-3-10(6-9)17-8-11(16)15-7-12-14-4-5-18-12/h1-6H,7-8,13H2,(H,15,16)
InChIKeyJLDFWYUGDVUZLE-UHFFFAOYSA-N
XLogP1.42
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.42
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

2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097
2-(3-aminophenoxy)-N-[(4,5-dimethylthiophen-2-yl)methyl]acetamide
CID 65241508
2-(3-aminophenoxy)-N-(2-pyrazol-1-ylethyl)acetamide
CID 61459957
3-amino-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 61284856
2-(3-aminophenoxy)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide
CID 79353305
2-(3-aminophenoxy)-N-(2,2-dimethylbutyl)acetamide
CID 103459940
2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide
CID 61036344
3-(2-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 61283637
2-(3-aminophenoxy)-N-[2-(dimethylamino)propyl]acetamide
CID 61140673
2-(3-aminophenoxy)-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 65103467
2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110442320
2-(3-aminophenoxy)-N-(thiatriazol-5-yl)acetamide
CID 114911560

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide (CID 61283448) is 2-(3-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide is Nc1cccc(OCC(=O)NCc2nccs2)c1.
What is the InChIKey of 2-(3-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The InChIKey is JLDFWYUGDVUZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c13-9-2-1-3-10(6-9)17-8-11(16)15-7-12-14-4-5-18-12/h1-6H,7-8,13H2,(H,15,16).
What are the key properties of 2-(3-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide?
2-(3-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide has a molecular weight of 263.32 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 61283448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).