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

C15H17BrN2O2S — CID 17189496

IUPAC2-(2-bromo-4-butan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2nccs2)c(Br)c1
InChIInChI=1S/C15H17BrN2O2S/c1-3-10(2)11-4-5-13(12(16)8-11)20-9-14(19)18-15-17-6-7-21-15/h4-8,10H,3,9H2,1-2H3,(H,17,18,19)
InChIKeyLPOVSYKCAQMAET-UHFFFAOYSA-N
MW369.28 g/mol
LogP4.44
Rot. Bonds6

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

2-(2-bromo-4-butan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 17189496) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 2-(2-bromo-4-butan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-butan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID17189496
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name2-(2-bromo-4-butan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2nccs2)c(Br)c1
InChIInChI=1S/C15H17BrN2O2S/c1-3-10(2)11-4-5-13(12(16)8-11)20-9-14(19)18-15-17-6-7-21-15/h4-8,10H,3,9H2,1-2H3,(H,17,18,19)
InChIKeyLPOVSYKCAQMAET-UHFFFAOYSA-N
XLogP4.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-propan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 19202118
2-(2-bromo-4-butan-2-ylphenoxy)-N-(2-bromophenyl)acetamide
CID 17189524
2-(4-bromo-2-ethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 19202117
N-(4-acetylphenyl)-2-(2-bromo-4-butan-2-ylphenoxy)acetamide
CID 17189464
2-(4-bromo-2-chlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 833175
2-(2-bromo-4-butan-2-ylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide
CID 17189744
2-(2-bromo-4-ethylphenoxy)-N-(6-butan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 53269143
2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 17189592
2-(4-propan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 723522
propyl 4-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]benzoate
CID 17189488
2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 17189618
N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]benzohydrazide
CID 17189717

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-butan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-bromo-4-butan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide (CID 17189496) is 2-(2-bromo-4-butan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-butan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-bromo-4-butan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide is CCC(C)c1ccc(OCC(=O)Nc2nccs2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-butan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is LPOVSYKCAQMAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-3-10(2)11-4-5-13(12(16)8-11)20-9-14(19)18-15-17-6-7-21-15/h4-8,10H,3,9H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(2-bromo-4-butan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide?
2-(2-bromo-4-butan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 369.28 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-butan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 17189496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).