2-(4-bromophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide

C13H13BrN2O2S — CID 17190941

IUPAC2-(4-bromophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)C(C)Oc2ccc(Br)cc2)s1
InChIInChI=1S/C13H13BrN2O2S/c1-8-7-15-13(19-8)16-12(17)9(2)18-11-5-3-10(14)4-6-11/h3-7,9H,1-2H3,(H,15,16,17)
InChIKeyAGRUNXMZHLINCS-UHFFFAOYSA-N
MW341.23 g/mol
LogP3.62
Rot. Bonds4

About 2-(4-bromophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide

2-(4-bromophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 17190941) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID17190941
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name2-(4-bromophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)C(C)Oc2ccc(Br)cc2)s1
InChIInChI=1S/C13H13BrN2O2S/c1-8-7-15-13(19-8)16-12(17)9(2)18-11-5-3-10(14)4-6-11/h3-7,9H,1-2H3,(H,15,16,17)
InChIKeyAGRUNXMZHLINCS-UHFFFAOYSA-N
XLogP3.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2678069
N-(5-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4812532
N-(5-methyl-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)propanamide
CID 46481508
(2R)-2-(4-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7346755
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 45148025
2-(4-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 2970521
(2S)-2-(4-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 7346463
2-(2-methoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 17190948
2-(4-bromophenoxy)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 133160369
N-(5-methyl-1,3-thiazol-2-yl)-2-(2-propan-2-ylphenoxy)propanamide
CID 17190939
2-(4-bromophenoxy)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 78525105
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 17190941) is 2-(4-bromophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is Cc1cnc(NC(=O)C(C)Oc2ccc(Br)cc2)s1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is AGRUNXMZHLINCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c1-8-7-15-13(19-8)16-12(17)9(2)18-11-5-3-10(14)4-6-11/h3-7,9H,1-2H3,(H,15,16,17).
What are the key properties of 2-(4-bromophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
2-(4-bromophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 341.23 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 17190941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).