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

C18H13BrCl2N2O2S — CID 19178659

IUPAC2-(2-bromo-4-methylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c(Br)c1
InChIInChI=1S/C18H13BrCl2N2O2S/c1-10-2-5-16(13(19)6-10)25-8-17(24)23-18-22-15(9-26-18)12-4-3-11(20)7-14(12)21/h2-7,9H,8H2,1H3,(H,22,23,24)
InChIKeyMEKJEFCCBOIPCX-UHFFFAOYSA-N
MW472.19 g/mol
LogP6.21
Rot. Bonds5

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

2-(2-bromo-4-methylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 19178659) has the molecular formula C18H13BrCl2N2O2S and a molecular weight of 472.19 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID19178659
Molecular FormulaC18H13BrCl2N2O2S
Molecular Weight472.19 g/mol
Exact Mass469.93
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c(Br)c1
InChIInChI=1S/C18H13BrCl2N2O2S/c1-10-2-5-16(13(19)6-10)25-8-17(24)23-18-22-15(9-26-18)12-4-3-11(20)7-14(12)21/h2-7,9H,8H2,1H3,(H,22,23,24)
InChIKeyMEKJEFCCBOIPCX-UHFFFAOYSA-N
XLogP6.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.19
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19203232
2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19202905
2-(2-bromo-4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19202180
4-(2-bromo-4-propan-2-ylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]butanamide
CID 19206344
2-(2,4-dichlorophenoxy)-N-[4-(2-hydroxy-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 165342796
2-(2-bromo-4-methylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196735
2-(4-acetylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 26117136
2-(2-tert-butyl-4-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196678
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
CID 19178813
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 4199066
2-(2-bromo-4-phenylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196780
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-(2-bromo-4-methylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide (CID 19178659) is 2-(2-bromo-4-methylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is MEKJEFCCBOIPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrCl2N2O2S/c1-10-2-5-16(13(19)6-10)25-8-17(24)23-18-22-15(9-26-18)12-4-3-11(20)7-14(12)21/h2-7,9H,8H2,1H3,(H,22,23,24).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
2-(2-bromo-4-methylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 472.19 g/mol, XLogP of 6.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 19178659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).