2-(2-bromophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

C13H13BrN2O2S — CID 19178789

IUPAC2-(2-bromophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)COc2ccccc2Br)sc1C
InChIInChI=1S/C13H13BrN2O2S/c1-8-9(2)19-13(15-8)16-12(17)7-18-11-6-4-3-5-10(11)14/h3-6H,7H2,1-2H3,(H,15,16,17)
InChIKeyJOSPBFRSSLAIKZ-UHFFFAOYSA-N
MW341.23 g/mol
LogP3.54
Rot. Bonds4

About 2-(2-bromophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

2-(2-bromophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (PubChem CID 19178789) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
PubChem CID19178789
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name2-(2-bromophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)COc2ccccc2Br)sc1C
InChIInChI=1S/C13H13BrN2O2S/c1-8-9(2)19-13(15-8)16-12(17)7-18-11-6-4-3-5-10(11)14/h3-6H,7H2,1-2H3,(H,15,16,17)
InChIKeyJOSPBFRSSLAIKZ-UHFFFAOYSA-N
XLogP3.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromophenoxy)-N-(4,5-dimethyl-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-phenylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 2195943
2-(2-bromophenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19196888
2-(2-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 17361677
2-(4-bromo-2,6-dimethylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 19178868
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-chlorophenoxy)acetamide
CID 19178556
2-(2-chlorophenoxy)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 17100966
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 19217365
2-(4-tert-butylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 19178619
methyl 4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 3146505
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-phenylphenoxy)acetamide
CID 19217968
2-(2-bromophenoxy)-N-(6-butoxy-1,3-benzothiazol-2-yl)acetamide
CID 19218244
2-(2-ethoxyphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 16644162

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (CID 19178789) is 2-(2-bromophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is Cc1nc(NC(=O)COc2ccccc2Br)sc1C.
What is the InChIKey of 2-(2-bromophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is JOSPBFRSSLAIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c1-8-9(2)19-13(15-8)16-12(17)7-18-11-6-4-3-5-10(11)14/h3-6H,7H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(2-bromophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
2-(2-bromophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 341.23 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 19178789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).