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

C18H17N3O2S — CID 28857578

IUPAC2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)COc1ccccc1-c1csc(N)n1
InChIInChI=1S/C18H17N3O2S/c1-12-6-2-4-8-14(12)20-17(22)10-23-16-9-5-3-7-13(16)15-11-24-18(19)21-15/h2-9,11H,10H2,1H3,(H2,19,21)(H,20,22)
InChIKeyQBXVBGYXSRBAER-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.72
Rot. Bonds5

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

2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2-methylphenyl)acetamide (PubChem CID 28857578) 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-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2-methylphenyl)acetamide
PubChem CID28857578
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)COc1ccccc1-c1csc(N)n1
InChIInChI=1S/C18H17N3O2S/c1-12-6-2-4-8-14(12)20-17(22)10-23-16-9-5-3-7-13(16)15-11-24-18(19)21-15/h2-9,11H,10H2,1H3,(H2,19,21)(H,20,22)
InChIKeyQBXVBGYXSRBAER-UHFFFAOYSA-N
XLogP3.72
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.72
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-(4-chloro-2-methylphenyl)acetamide
CID 28857548
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
N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-ethoxyphenoxy)acetamide
CID 28865232
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide
CID 28857665
2-(2-amino-4-fluorophenoxy)-N-(2-methylphenyl)acetamide
CID 62368683
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
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28857676
N-(2,3-dimethylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745798
2-[2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methylphenyl)acetamide
CID 45032644
2-(2,5-dimethylphenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 121148642

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2-methylphenyl)acetamide (CID 28857578) is 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)COc1ccccc1-c1csc(N)n1.
What is the InChIKey of 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2-methylphenyl)acetamide?
The InChIKey is QBXVBGYXSRBAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-6-2-4-8-14(12)20-17(22)10-23-16-9-5-3-7-13(16)15-11-24-18(19)21-15/h2-9,11H,10H2,1H3,(H2,19,21)(H,20,22).
What are the key properties of 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2-methylphenyl)acetamide?
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2-methylphenyl)acetamide has a molecular weight of 339.42 g/mol, XLogP of 3.72, 5 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-(2-methylphenyl)acetamide is sourced from PubChem (CID 28857578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).