2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide

C18H17N3O2S — CID 28857665

IUPAC2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide
SMILESNc1nc(-c2ccccc2OCC(=O)NCc2ccccc2)cs1
InChIInChI=1S/C18H17N3O2S/c19-18-21-15(12-24-18)14-8-4-5-9-16(14)23-11-17(22)20-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H2,19,21)(H,20,22)
InChIKeyFKIDAFNEVYUSFZ-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.09
Rot. Bonds6

About 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide

2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide (PubChem CID 28857665) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide.

Molecular Properties

Compound Name2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide
PubChem CID28857665
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide
SMILESNc1nc(-c2ccccc2OCC(=O)NCc2ccccc2)cs1
InChIInChI=1S/C18H17N3O2S/c19-18-21-15(12-24-18)14-8-4-5-9-16(14)23-11-17(22)20-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H2,19,21)(H,20,22)
InChIKeyFKIDAFNEVYUSFZ-UHFFFAOYSA-N
XLogP3.09
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2-methylphenyl)acetamide
CID 28857578
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(4-tert-butylphenyl)acetamide
CID 28857661
ethyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate;hydrobromide
CID 56832420
2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide
CID 39733641
N-(2-aminoethyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetamide
CID 39163001
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]ethanol
CID 28857958
N-benzyl-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 20939884
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28857676
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(4-chloro-2-methylphenyl)acetamide
CID 28857548
4-[2-(2-phenoxyethoxy)phenyl]-1,3-thiazol-2-amine
CID 28857922
cyclopentyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate
CID 28857824
2-(2-amino-3-methylphenoxy)-N-benzylacetamide
CID 43437998

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide?
The IUPAC name of 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide (CID 28857665) is 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide.
What is the SMILES notation for 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide?
The canonical SMILES for 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide is Nc1nc(-c2ccccc2OCC(=O)NCc2ccccc2)cs1.
What is the InChIKey of 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide?
The InChIKey is FKIDAFNEVYUSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c19-18-21-15(12-24-18)14-8-4-5-9-16(14)23-11-17(22)20-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H2,19,21)(H,20,22).
What are the key properties of 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide?
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide has a molecular weight of 339.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide is sourced from PubChem (CID 28857665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).