2-(2,4-dibromo-6-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide

C12H12Br2N2O2S — CID 4514036

IUPAC2-(2,4-dibromo-6-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)NC1=NCCS1
InChIInChI=1S/C12H12Br2N2O2S/c1-7-4-8(13)5-9(14)11(7)18-6-10(17)16-12-15-2-3-19-12/h4-5H,2-3,6H2,1H3,(H,15,16,17)
InChIKeyNPPIBRBDYSHGLS-UHFFFAOYSA-N
MW408.12 g/mol
LogP3.12
Rot. Bonds3

About 2-(2,4-dibromo-6-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide

2-(2,4-dibromo-6-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide (PubChem CID 4514036) has the molecular formula C12H12Br2N2O2S and a molecular weight of 408.12 g/mol. Its IUPAC name is 2-(2,4-dibromo-6-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dibromo-6-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
PubChem CID4514036
Molecular FormulaC12H12Br2N2O2S
Molecular Weight408.12 g/mol
Exact Mass405.90
IUPAC Name2-(2,4-dibromo-6-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)NC1=NCCS1
InChIInChI=1S/C12H12Br2N2O2S/c1-7-4-8(13)5-9(14)11(7)18-6-10(17)16-12-15-2-3-19-12/h4-5H,2-3,6H2,1H3,(H,15,16,17)
InChIKeyNPPIBRBDYSHGLS-UHFFFAOYSA-N
XLogP3.12
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.12
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dibromo-6-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromo-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 924627
2-(2-chloro-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 4513717
N-(4-amino-2,6-dimethylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 50880984
N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380
N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3249849
N-(4-amino-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 100828344
4-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzoic acid
CID 28676661
1-N',4-N'-bis[2-(2,4-dibromo-6-methylphenoxy)acetyl]cyclohexane-1,4-dicarbohydrazide
CID 4927218
N-(cyclooctylideneamino)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 54786862
2-(4-bromo-2,6-dimethylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 19178868
2-(2,4-dibromo-6-methylphenoxy)acetate
CID 6921474
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-hydroxyphenoxy)acetamide
CID 4031678

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromo-6-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2,4-dibromo-6-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide (CID 4514036) is 2-(2,4-dibromo-6-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-dibromo-6-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,4-dibromo-6-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide is Cc1cc(Br)cc(Br)c1OCC(=O)NC1=NCCS1.
What is the InChIKey of 2-(2,4-dibromo-6-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The InChIKey is NPPIBRBDYSHGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N2O2S/c1-7-4-8(13)5-9(14)11(7)18-6-10(17)16-12-15-2-3-19-12/h4-5H,2-3,6H2,1H3,(H,15,16,17).
What are the key properties of 2-(2,4-dibromo-6-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide?
2-(2,4-dibromo-6-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide has a molecular weight of 408.12 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromo-6-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4514036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).