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

C12H11BrN2O2S — CID 47098019

IUPAC3-(3-bromophenoxy)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCOc1cccc(Br)c1)Nc1nccs1
InChIInChI=1S/C12H11BrN2O2S/c13-9-2-1-3-10(8-9)17-6-4-11(16)15-12-14-5-7-18-12/h1-3,5,7-8H,4,6H2,(H,14,15,16)
InChIKeyWBTFYZVPQOYQPC-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.31
Rot. Bonds5

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

3-(3-bromophenoxy)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 47098019) has the molecular formula C12H11BrN2O2S and a molecular weight of 327.20 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-bromophenoxy)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID47098019
Molecular FormulaC12H11BrN2O2S
Molecular Weight327.20 g/mol
Exact Mass325.97
IUPAC Name3-(3-bromophenoxy)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCOc1cccc(Br)c1)Nc1nccs1
InChIInChI=1S/C12H11BrN2O2S/c13-9-2-1-3-10(8-9)17-6-4-11(16)15-12-14-5-7-18-12/h1-3,5,7-8H,4,6H2,(H,14,15,16)
InChIKeyWBTFYZVPQOYQPC-UHFFFAOYSA-N
XLogP3.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-bromophenoxy)-N-(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

4-(4-bromophenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 2679212
2-(3-pentoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 4733269
N-(4-bromo-2-fluorophenyl)-3-(3-bromophenoxy)propanamide
CID 134059439
3-(3-bromophenoxy)-N-(3-fluorophenyl)propanamide
CID 26579539
3-(3-bromophenoxy)-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 86931919
N-(1,3-benzothiazol-2-yl)-4-(3-bromophenoxy)butanamide
CID 2677009
3-(3-bromophenoxy)-N-(4-cyanophenyl)propanamide
CID 26687164
4-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 2666592
3-(3-bromophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 26710610
3-(3-bromophenoxy)-N-(3-chloro-2-methylphenyl)propanamide
CID 26589795
3-(3-bromophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 51155626
N-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide
CID 119522531

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(3-bromophenoxy)-N-(1,3-thiazol-2-yl)propanamide (CID 47098019) is 3-(3-bromophenoxy)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(3-bromophenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(3-bromophenoxy)-N-(1,3-thiazol-2-yl)propanamide is O=C(CCOc1cccc(Br)c1)Nc1nccs1.
What is the InChIKey of 3-(3-bromophenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is WBTFYZVPQOYQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2S/c13-9-2-1-3-10(8-9)17-6-4-11(16)15-12-14-5-7-18-12/h1-3,5,7-8H,4,6H2,(H,14,15,16).
What are the key properties of 3-(3-bromophenoxy)-N-(1,3-thiazol-2-yl)propanamide?
3-(3-bromophenoxy)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 327.20 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 47098019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).