2-(2-bromo-4-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide

C12H10BrClN2O2S — CID 4981351

IUPAC2-(2-bromo-4-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)Nc1nccs1
InChIInChI=1S/C12H10BrClN2O2S/c1-7(11(17)16-12-15-4-5-19-12)18-10-3-2-8(14)6-9(10)13/h2-7H,1H3,(H,15,16,17)
InChIKeyJTSOAEYXKWWZLM-UHFFFAOYSA-N
MW361.65 g/mol
LogP3.96
Rot. Bonds4

About 2-(2-bromo-4-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide

2-(2-bromo-4-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 4981351) has the molecular formula C12H10BrClN2O2S and a molecular weight of 361.65 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID4981351
Molecular FormulaC12H10BrClN2O2S
Molecular Weight361.65 g/mol
Exact Mass359.93
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)Nc1nccs1
InChIInChI=1S/C12H10BrClN2O2S/c1-7(11(17)16-12-15-4-5-19-12)18-10-3-2-8(14)6-9(10)13/h2-7H,1H3,(H,15,16,17)
InChIKeyJTSOAEYXKWWZLM-UHFFFAOYSA-N
XLogP3.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.65
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-thiazol-2-yl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 171987768
2-(2,3-dichlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 43077311
(2R)-2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)propanamide
CID 8728168
(2S)-2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)propanamide
CID 8728164
(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide
CID 40773106
2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 2996131
(2R)-2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 7380218
(2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 40771211
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide
CID 43080396
4-[2-(2-bromophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361566
(2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8728140
2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 4981315

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide (CID 4981351) is 2-(2-bromo-4-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide is CC(Oc1ccc(Cl)cc1Br)C(=O)Nc1nccs1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is JTSOAEYXKWWZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O2S/c1-7(11(17)16-12-15-4-5-19-12)18-10-3-2-8(14)6-9(10)13/h2-7H,1H3,(H,15,16,17).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide?
2-(2-bromo-4-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 361.65 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 4981351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).