2-(2-amino-1,3-thiazol-4-yl)-N-[3-bromo-2-(methoxymethyl)phenyl]acetamide

C13H14BrN3O2S — CID 62799631

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[3-bromo-2-(methoxymethyl)phenyl]acetamide
SMILESCOCc1c(Br)cccc1NC(=O)Cc1csc(N)n1
InChIInChI=1S/C13H14BrN3O2S/c1-19-6-9-10(14)3-2-4-11(9)17-12(18)5-8-7-20-13(15)16-8/h2-4,7H,5-6H2,1H3,(H2,15,16)(H,17,18)
InChIKeyDXGMNHSDGYZGSO-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.82
Rot. Bonds5

About 2-(2-amino-1,3-thiazol-4-yl)-N-[3-bromo-2-(methoxymethyl)phenyl]acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-[3-bromo-2-(methoxymethyl)phenyl]acetamide (PubChem CID 62799631) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[3-bromo-2-(methoxymethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[3-bromo-2-(methoxymethyl)phenyl]acetamide
PubChem CID62799631
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[3-bromo-2-(methoxymethyl)phenyl]acetamide
SMILESCOCc1c(Br)cccc1NC(=O)Cc1csc(N)n1
InChIInChI=1S/C13H14BrN3O2S/c1-19-6-9-10(14)3-2-4-11(9)17-12(18)5-8-7-20-13(15)16-8/h2-4,7H,5-6H2,1H3,(H2,15,16)(H,17,18)
InChIKeyDXGMNHSDGYZGSO-UHFFFAOYSA-N
XLogP2.82
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-[3-(methoxymethyl)phenyl]acetamide
CID 62799415
2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-methylbenzamide
CID 62795551
N-[3-bromo-2-(methoxymethyl)phenyl]-3-oxobutanamide
CID 61215647
2-(2-amino-1,3-thiazol-4-yl)-N-(2,4-dibromophenyl)acetamide
CID 62799765
2-(2-amino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide
CID 62795038
2-(2-amino-1,3-thiazol-4-yl)-N-[3-chloro-2-(dimethylamino)phenyl]acetamide
CID 62798885
2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 110374734
2-(2-amino-1,3-thiazol-4-yl)-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 62799641
2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide
CID 104723693
2-(2-amino-1,3-thiazol-4-yl)-N-(2-methylquinolin-4-yl)acetamide
CID 62795895
2-(2-amino-1,3-thiazol-4-yl)-N-thiophen-3-ylacetamide
CID 66351961
2-(2-amino-1,3-thiazol-4-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 62796221

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[3-bromo-2-(methoxymethyl)phenyl]acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[3-bromo-2-(methoxymethyl)phenyl]acetamide (CID 62799631) is 2-(2-amino-1,3-thiazol-4-yl)-N-[3-bromo-2-(methoxymethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[3-bromo-2-(methoxymethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[3-bromo-2-(methoxymethyl)phenyl]acetamide is COCc1c(Br)cccc1NC(=O)Cc1csc(N)n1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[3-bromo-2-(methoxymethyl)phenyl]acetamide?
The InChIKey is DXGMNHSDGYZGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c1-19-6-9-10(14)3-2-4-11(9)17-12(18)5-8-7-20-13(15)16-8/h2-4,7H,5-6H2,1H3,(H2,15,16)(H,17,18).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[3-bromo-2-(methoxymethyl)phenyl]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[3-bromo-2-(methoxymethyl)phenyl]acetamide has a molecular weight of 356.25 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[3-bromo-2-(methoxymethyl)phenyl]acetamide is sourced from PubChem (CID 62799631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).