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

C13H13BrN2O2S — CID 8894315

IUPAC(2S)-2-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide
SMILESC[C@H](Oc1ccc(Br)cc1)C(=O)/N=c1\sccn1C
InChIInChI=1S/C13H13BrN2O2S/c1-9(18-11-5-3-10(14)4-6-11)12(17)15-13-16(2)7-8-19-13/h3-9H,1-2H3/b15-13-/t9-/m0/s1
InChIKeyGLRAAMRLCKJPGV-BFBVWJMCSA-N
MW341.23 g/mol
LogP2.74
Rot. Bonds3

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

(2S)-2-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide (PubChem CID 8894315) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is (2S)-2-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide
PubChem CID8894315
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name(2S)-2-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide
SMILESC[C@H](Oc1ccc(Br)cc1)C(=O)/N=c1\sccn1C
InChIInChI=1S/C13H13BrN2O2S/c1-9(18-11-5-3-10(14)4-6-11)12(17)15-13-16(2)7-8-19-13/h3-9H,1-2H3/b15-13-/t9-/m0/s1
InChIKeyGLRAAMRLCKJPGV-BFBVWJMCSA-N
XLogP2.74
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide?
The IUPAC name of (2S)-2-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide (CID 8894315) is (2S)-2-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide.
What is the SMILES notation for (2S)-2-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide?
The canonical SMILES for (2S)-2-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide is C[C@H](Oc1ccc(Br)cc1)C(=O)/N=c1\sccn1C.
What is the InChIKey of (2S)-2-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide?
The InChIKey is GLRAAMRLCKJPGV-BFBVWJMCSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c1-9(18-11-5-3-10(14)4-6-11)12(17)15-13-16(2)7-8-19-13/h3-9H,1-2H3/b15-13-/t9-/m0/s1.
What are the key properties of (2S)-2-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide?
(2S)-2-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide has a molecular weight of 341.23 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide is sourced from PubChem (CID 8894315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).