2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide

C20H17BrCl2N2O2S — CID 19202905

IUPAC2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(C)c1cc(Br)ccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C20H17BrCl2N2O2S/c1-11(2)15-7-12(21)3-6-18(15)27-9-19(26)25-20-24-17(10-28-20)14-5-4-13(22)8-16(14)23/h3-8,10-11H,9H2,1-2H3,(H,24,25,26)
InChIKeyRQMVMVZPTVYFNQ-UHFFFAOYSA-N
MW500.25 g/mol
LogP7.02
Rot. Bonds6

About 2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide

2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 19202905) has the molecular formula C20H17BrCl2N2O2S and a molecular weight of 500.25 g/mol. Its IUPAC name is 2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID19202905
Molecular FormulaC20H17BrCl2N2O2S
Molecular Weight500.25 g/mol
Exact Mass497.96
IUPAC Name2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(C)c1cc(Br)ccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C20H17BrCl2N2O2S/c1-11(2)15-7-12(21)3-6-18(15)27-9-19(26)25-20-24-17(10-28-20)14-5-4-13(22)8-16(14)23/h3-8,10-11H,9H2,1-2H3,(H,24,25,26)
InChIKeyRQMVMVZPTVYFNQ-UHFFFAOYSA-N
XLogP7.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.25
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2,4-dichlorophenyl)-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-methylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19178659
2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19203181
4-(2-bromo-4-propan-2-ylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]butanamide
CID 19206344
2-(2-bromo-4-chlorophenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19203232
2-(2,4-dichlorophenoxy)-N-[4-(2-hydroxy-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 165342796
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 4199066
2-(4-acetylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 26117136
2-(2-bromo-4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19202180
2-(4-chloro-2-methylphenoxy)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4643294
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dichlorophenoxy)acetamide
CID 19196652
N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2,4-dichlorobenzohydrazide
CID 17189044
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-prop-2-enylphenoxy)acetamide
CID 1407098

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide (CID 19202905) is 2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide is CC(C)c1cc(Br)ccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of 2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is RQMVMVZPTVYFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrCl2N2O2S/c1-11(2)15-7-12(21)3-6-18(15)27-9-19(26)25-20-24-17(10-28-20)14-5-4-13(22)8-16(14)23/h3-8,10-11H,9H2,1-2H3,(H,24,25,26).
What are the key properties of 2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 500.25 g/mol, XLogP of 7.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 19202905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).