2-(2-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C12H11BrN2O2S — CID 17361677

IUPAC2-(2-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)COc2ccccc2Br)n1
InChIInChI=1S/C12H11BrN2O2S/c1-8-7-18-12(14-8)15-11(16)6-17-10-5-3-2-4-9(10)13/h2-5,7H,6H2,1H3,(H,14,15,16)
InChIKeyHXUHKJODUYIPBX-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.23
Rot. Bonds4

About 2-(2-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-(2-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 17361677) has the molecular formula C12H11BrN2O2S and a molecular weight of 327.20 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID17361677
Molecular FormulaC12H11BrN2O2S
Molecular Weight327.20 g/mol
Exact Mass325.97
IUPAC Name2-(2-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)COc2ccccc2Br)n1
InChIInChI=1S/C12H11BrN2O2S/c1-8-7-18-12(14-8)15-11(16)6-17-10-5-3-2-4-9(10)13/h2-5,7H,6H2,1H3,(H,14,15,16)
InChIKeyHXUHKJODUYIPBX-UHFFFAOYSA-N
XLogP3.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 7770883
N-(4-methyl-1,3-thiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 2088036
2-(2-bromophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19178781
2-(2-bromophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 19178789
2-(2-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196895
2-(2-methyl-3-nitrophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 60518424
2-(2-bromophenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 1193326
4-methyl-3-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid
CID 60702604
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 26362871
3-(2-methoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 2522764
4-(2-ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 2679260
2-(2-bromophenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19196888

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 17361677) is 2-(2-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)COc2ccccc2Br)n1.
What is the InChIKey of 2-(2-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is HXUHKJODUYIPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2S/c1-8-7-18-12(14-8)15-11(16)6-17-10-5-3-2-4-9(10)13/h2-5,7H,6H2,1H3,(H,14,15,16).
What are the key properties of 2-(2-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-(2-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 327.20 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 17361677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).