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

C13H13BrN2O2S — CID 7346463

IUPAC(2S)-2-(4-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)n1
InChIInChI=1S/C13H13BrN2O2S/c1-8-7-19-13(15-8)16-12(17)9(2)18-11-5-3-10(14)4-6-11/h3-7,9H,1-2H3,(H,15,16,17)/t9-/m0/s1
InChIKeyQCLMBLCGGOUMAS-VIFPVBQESA-N
MW341.23 g/mol
LogP3.62
Rot. Bonds4

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

(2S)-2-(4-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 7346463) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is (2S)-2-(4-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID7346463
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name(2S)-2-(4-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)n1
InChIInChI=1S/C13H13BrN2O2S/c1-8-7-19-13(15-8)16-12(17)9(2)18-11-5-3-10(14)4-6-11/h3-7,9H,1-2H3,(H,15,16,17)/t9-/m0/s1
InChIKeyQCLMBLCGGOUMAS-VIFPVBQESA-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

Analyze (2S)-2-(4-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 2970521
N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4162363
2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 45147873
(2R)-2-(4-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7346755
2-(4-bromophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 17190941
2-(2-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 155976896
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 7939457
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595
2-(4-bromophenoxy)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 133160369
(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 26893877

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-(4-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 7346463) is (2S)-2-(4-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-(4-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-(4-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1csc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)n1.
What is the InChIKey of (2S)-2-(4-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is QCLMBLCGGOUMAS-VIFPVBQESA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c1-8-7-19-13(15-8)16-12(17)9(2)18-11-5-3-10(14)4-6-11/h3-7,9H,1-2H3,(H,15,16,17)/t9-/m0/s1.
What are the key properties of (2S)-2-(4-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
(2S)-2-(4-bromophenoxy)-N-(4-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 (2S)-2-(4-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 7346463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).