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

C14H15BrN2O2S — CID 19202118

IUPAC2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2nccs2)c(Br)c1
InChIInChI=1S/C14H15BrN2O2S/c1-9(2)10-3-4-12(11(15)7-10)19-8-13(18)17-14-16-5-6-20-14/h3-7,9H,8H2,1-2H3,(H,16,17,18)
InChIKeyLVXOQRXUCVZGGM-UHFFFAOYSA-N
MW355.26 g/mol
LogP4.05
Rot. Bonds5

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

2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 19202118) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID19202118
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2nccs2)c(Br)c1
InChIInChI=1S/C14H15BrN2O2S/c1-9(2)10-3-4-12(11(15)7-10)19-8-13(18)17-14-16-5-6-20-14/h3-7,9H,8H2,1-2H3,(H,16,17,18)
InChIKeyLVXOQRXUCVZGGM-UHFFFAOYSA-N
XLogP4.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-butan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 17189496
2-(4-propan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 723522
2-(2-bromo-4-propan-2-ylphenoxy)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19219897
2-(4-bromo-2-chlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 833175
2-(4-bromo-2-ethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 19202117
2-(2-bromo-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 19202796
2-(2-bromo-4-propan-2-ylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19202918
2-(2-bromo-4-propan-2-ylphenoxy)-N-[4-(dimethylamino)phenyl]acetamide
CID 2194297
2-(2,5-dimethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 715604
4-methoxy-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]benzoic acid
CID 79737424
1-[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]amino]-3-phenylurea
CID 3328343
2-(2-bromo-4-propan-2-ylphenoxy)acetamide
CID 894118

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide (CID 19202118) is 2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide is CC(C)c1ccc(OCC(=O)Nc2nccs2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is LVXOQRXUCVZGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-9(2)10-3-4-12(11(15)7-10)19-8-13(18)17-14-16-5-6-20-14/h3-7,9H,8H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide?
2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 355.26 g/mol, XLogP of 4.05, 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-propan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 19202118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).