2-(2-bromo-4-methylphenoxy)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide

C17H17BrN4O2S — CID 24621134

IUPAC2-(2-bromo-4-methylphenoxy)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(OCC(=O)Nc2nc(C)c(-c3nccn3C)s2)c(Br)c1
InChIInChI=1S/C17H17BrN4O2S/c1-10-4-5-13(12(18)8-10)24-9-14(23)21-17-20-11(2)15(25-17)16-19-6-7-22(16)3/h4-8H,9H2,1-3H3,(H,20,21,23)
InChIKeySOBVQKHWQNYJHV-UHFFFAOYSA-N
MW421.32 g/mol
LogP3.94
Rot. Bonds5

About 2-(2-bromo-4-methylphenoxy)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide

2-(2-bromo-4-methylphenoxy)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 24621134) has the molecular formula C17H17BrN4O2S and a molecular weight of 421.32 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID24621134
Molecular FormulaC17H17BrN4O2S
Molecular Weight421.32 g/mol
Exact Mass420.03
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(OCC(=O)Nc2nc(C)c(-c3nccn3C)s2)c(Br)c1
InChIInChI=1S/C17H17BrN4O2S/c1-10-4-5-13(12(18)8-10)24-9-14(23)21-17-20-11(2)15(25-17)16-19-6-7-22(16)3/h4-8H,9H2,1-3H3,(H,20,21,23)
InChIKeySOBVQKHWQNYJHV-UHFFFAOYSA-N
XLogP3.94
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide
CID 25366906
2-(2-bromo-4-methylphenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 19214317
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
2-(2-bromo-4-phenylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 2195943
2-[bis(4-fluorophenyl)methylsulfanyl]-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide
CID 24651733
2-(2-bromo-4-methylphenoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 25366977
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-fluorophenoxy)acetamide
CID 39026265
2-(2-bromophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 19178789
2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)acetamide
CID 1369656
2-(2-bromo-4-methylphenoxy)-N-(1H-imidazol-2-yl)acetamide
CID 55027884
3,5-dichloro-4-hydroxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide
CID 25348239
2-(2-bromo-4-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19202264

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide (CID 24621134) is 2-(2-bromo-4-methylphenoxy)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(OCC(=O)Nc2nc(C)c(-c3nccn3C)s2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is SOBVQKHWQNYJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O2S/c1-10-4-5-13(12(18)8-10)24-9-14(23)21-17-20-11(2)15(25-17)16-19-6-7-22(16)3/h4-8H,9H2,1-3H3,(H,20,21,23).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide?
2-(2-bromo-4-methylphenoxy)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 421.32 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 24621134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).