N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide

C17H19BrN2O3S — CID 19202937

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
SMILESCC(=O)c1sc(NC(=O)COc2ccc(Br)cc2C(C)C)nc1C
InChIInChI=1S/C17H19BrN2O3S/c1-9(2)13-7-12(18)5-6-14(13)23-8-15(22)20-17-19-10(3)16(24-17)11(4)21/h5-7,9H,8H2,1-4H3,(H,19,20,22)
InChIKeyUGQQJZAJXLQYDJ-UHFFFAOYSA-N
MW411.32 g/mol
LogP4.56
Rot. Bonds6

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide (PubChem CID 19202937) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
PubChem CID19202937
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
SMILESCC(=O)c1sc(NC(=O)COc2ccc(Br)cc2C(C)C)nc1C
InChIInChI=1S/C17H19BrN2O3S/c1-9(2)13-7-12(18)5-6-14(13)23-8-15(22)20-17-19-10(3)16(24-17)11(4)21/h5-7,9H,8H2,1-4H3,(H,19,20,22)
InChIKeyUGQQJZAJXLQYDJ-UHFFFAOYSA-N
XLogP4.56
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-chlorophenoxy)acetamide
CID 19178556
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 17188857
2-(4-bromo-2-propan-2-ylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 19202324
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 19178514
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-ethoxyphenoxy)acetamide
CID 19177786
2-(4-bromo-2-propan-2-ylphenoxy)-N-(6-butyl-1,3-benzothiazol-2-yl)acetamide
CID 19210040
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetohydrazide
CID 17189105
2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19202905
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-propan-2-yloxyacetamide
CID 43853851
2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19203181
N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 17252223
2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 19202727

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide (CID 19202937) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide is CC(=O)c1sc(NC(=O)COc2ccc(Br)cc2C(C)C)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide?
The InChIKey is UGQQJZAJXLQYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-9(2)13-7-12(18)5-6-14(13)23-8-15(22)20-17-19-10(3)16(24-17)11(4)21/h5-7,9H,8H2,1-4H3,(H,19,20,22).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide has a molecular weight of 411.32 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 19202937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).