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

C19H17BrN2O3S — CID 19196735

IUPAC2-(2-bromo-4-methylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1cccc(-c2csc(NC(=O)COc3ccc(C)cc3Br)n2)c1
InChIInChI=1S/C19H17BrN2O3S/c1-12-6-7-17(15(20)8-12)25-10-18(23)22-19-21-16(11-26-19)13-4-3-5-14(9-13)24-2/h3-9,11H,10H2,1-2H3,(H,21,22,23)
InChIKeyOGKZFBDZWLUZEC-UHFFFAOYSA-N
MW433.33 g/mol
LogP4.91
Rot. Bonds6

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

2-(2-bromo-4-methylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 19196735) has the molecular formula C19H17BrN2O3S and a molecular weight of 433.33 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID19196735
Molecular FormulaC19H17BrN2O3S
Molecular Weight433.33 g/mol
Exact Mass432.01
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1cccc(-c2csc(NC(=O)COc3ccc(C)cc3Br)n2)c1
InChIInChI=1S/C19H17BrN2O3S/c1-12-6-7-17(15(20)8-12)25-10-18(23)22-19-21-16(11-26-19)13-4-3-5-14(9-13)24-2/h3-9,11H,10H2,1-2H3,(H,21,22,23)
InChIKeyOGKZFBDZWLUZEC-UHFFFAOYSA-N
XLogP4.91
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.33
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)acetamide
CID 1395837
2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19203181
4-(2-bromo-4-tert-butylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19203178
2-(4-ethylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196482
2-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 1008619
2-(2-bromo-4-methylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19178659
2-(2-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196895
2-(2-bromo-4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19202180
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
CID 1183685
2-(2-bromo-4-phenylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19173196
2-(3-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196817
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35964926

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 19196735) is 2-(2-bromo-4-methylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is COc1cccc(-c2csc(NC(=O)COc3ccc(C)cc3Br)n2)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is OGKZFBDZWLUZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3S/c1-12-6-7-17(15(20)8-12)25-10-18(23)22-19-21-16(11-26-19)13-4-3-5-14(9-13)24-2/h3-9,11H,10H2,1-2H3,(H,21,22,23).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-(2-bromo-4-methylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 433.33 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 19196735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).