2-(2-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide

C12H13N3O3S — CID 106379163

IUPAC2-(2-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
SMILESNc1ccccc1OCC(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C12H13N3O3S/c13-9-3-1-2-4-10(9)18-6-11(16)14-5-8-7-19-12(17)15-8/h1-4,7H,5-6,13H2,(H,14,16)(H,15,17)
InChIKeyGEGTUSIOXAVVMP-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.71
Rot. Bonds5

About 2-(2-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide

2-(2-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 106379163) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID106379163
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name2-(2-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
SMILESNc1ccccc1OCC(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C12H13N3O3S/c13-9-3-1-2-4-10(9)18-6-11(16)14-5-8-7-19-12(17)15-8/h1-4,7H,5-6,13H2,(H,14,16)(H,15,17)
InChIKeyGEGTUSIOXAVVMP-UHFFFAOYSA-N
XLogP0.71
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-ethoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106379162
2-(2-hydroxyphenyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 103775150
2-(2-aminophenoxy)-N-ethylacetamide
CID 16776803
2-(2-aminophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 16781117
2-(2-aminophenoxy)-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
CID 61140407
4-[[2-(2-aminophenoxy)acetyl]amino]butanamide
CID 60865173
2-(2-aminophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65103907
2-(2-aminophenoxy)-N-pent-4-ynylacetamide
CID 106219762
2-(2-aminophenoxy)-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 106289109
ethyl 2-[[2-(2-aminophenoxy)acetyl]amino]acetate
CID 60812238
2-(2-aminophenoxy)-N-(4-fluorophenyl)acetamide
CID 16789642
2-(2-aminophenoxy)-N-(cyclohexylmethyl)acetamide
CID 43371365

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(2-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide (CID 106379163) is 2-(2-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide is Nc1ccccc1OCC(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 2-(2-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is GEGTUSIOXAVVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c13-9-3-1-2-4-10(9)18-6-11(16)14-5-8-7-19-12(17)15-8/h1-4,7H,5-6,13H2,(H,14,16)(H,15,17).
What are the key properties of 2-(2-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide?
2-(2-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 279.32 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 106379163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).