2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide

C21H21BrN2O2S — CID 19196976

IUPAC2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(C)c(-c2csc(NC(=O)COc3c(C)cc(Br)cc3C)n2)c1
InChIInChI=1S/C21H21BrN2O2S/c1-12-5-6-13(2)17(7-12)18-11-27-21(23-18)24-19(25)10-26-20-14(3)8-16(22)9-15(20)4/h5-9,11H,10H2,1-4H3,(H,23,24,25)
InChIKeyLZJBCTYHNYYYCE-UHFFFAOYSA-N
MW445.38 g/mol
LogP5.82
Rot. Bonds5

About 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide

2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 19196976) has the molecular formula C21H21BrN2O2S and a molecular weight of 445.38 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID19196976
Molecular FormulaC21H21BrN2O2S
Molecular Weight445.38 g/mol
Exact Mass444.05
IUPAC Name2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(C)c(-c2csc(NC(=O)COc3c(C)cc(Br)cc3C)n2)c1
InChIInChI=1S/C21H21BrN2O2S/c1-12-5-6-13(2)17(7-12)18-11-27-21(23-18)24-19(25)10-26-20-14(3)8-16(22)9-15(20)4/h5-9,11H,10H2,1-4H3,(H,23,24,25)
InChIKeyLZJBCTYHNYYYCE-UHFFFAOYSA-N
XLogP5.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.38
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-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-(4-bromo-2,6-dimethylphenoxy)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178865
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 735052
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196570
2-(2,3-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7921782
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19175491
2-(2,5-dimethylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 3310660
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7921771
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
CID 1183685
2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 3324498
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 4011297
4-(4-chlorophenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]butanamide
CID 19197142
5-bromo-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 8838910

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide (CID 19196976) is 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(C)c(-c2csc(NC(=O)COc3c(C)cc(Br)cc3C)n2)c1.
What is the InChIKey of 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is LZJBCTYHNYYYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O2S/c1-12-5-6-13(2)17(7-12)18-11-27-21(23-18)24-19(25)10-26-20-14(3)8-16(22)9-15(20)4/h5-9,11H,10H2,1-4H3,(H,23,24,25).
What are the key properties of 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 445.38 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 19196976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).