4-(4-bromophenoxy)-N-(1,3-thiazol-2-yl)butanamide

C13H13BrN2O2S — CID 2679212

IUPAC4-(4-bromophenoxy)-N-(1,3-thiazol-2-yl)butanamide
SMILESO=C(CCCOc1ccc(Br)cc1)Nc1nccs1
InChIInChI=1S/C13H13BrN2O2S/c14-10-3-5-11(6-4-10)18-8-1-2-12(17)16-13-15-7-9-19-13/h3-7,9H,1-2,8H2,(H,15,16,17)
InChIKeyHSVJXWZSRYFGMH-UHFFFAOYSA-N
MW341.23 g/mol
LogP3.70
Rot. Bonds6

About 4-(4-bromophenoxy)-N-(1,3-thiazol-2-yl)butanamide

4-(4-bromophenoxy)-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 2679212) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-bromophenoxy)-N-(1,3-thiazol-2-yl)butanamide
PubChem CID2679212
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name4-(4-bromophenoxy)-N-(1,3-thiazol-2-yl)butanamide
SMILESO=C(CCCOc1ccc(Br)cc1)Nc1nccs1
InChIInChI=1S/C13H13BrN2O2S/c14-10-3-5-11(6-4-10)18-8-1-2-12(17)16-13-15-7-9-19-13/h3-7,9H,1-2,8H2,(H,15,16,17)
InChIKeyHSVJXWZSRYFGMH-UHFFFAOYSA-N
XLogP3.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(4-bromophenoxy)-N-(1,3-thiazol-2-yl)butanamide 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

3-(3-bromophenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 47098019
4-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 2666592
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 669868
4-(4-bromophenoxy)-N-pyridin-4-ylbutanamide
CID 27700039
4-(2-bromo-4-tert-butylphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 19202115
4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride
CID 168719847
4-(4-ethoxyphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 17436186
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 19218771
4-(4-bromophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 7919920
methanamine;N-(1,3-thiazol-2-yl)hexanamide
CID 143608752
4-(4-bromophenoxy)-N-(2-chlorophenyl)butanamide
CID 3674961

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(4-bromophenoxy)-N-(1,3-thiazol-2-yl)butanamide (CID 2679212) is 4-(4-bromophenoxy)-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-bromophenoxy)-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-bromophenoxy)-N-(1,3-thiazol-2-yl)butanamide is O=C(CCCOc1ccc(Br)cc1)Nc1nccs1.
What is the InChIKey of 4-(4-bromophenoxy)-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is HSVJXWZSRYFGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c14-10-3-5-11(6-4-10)18-8-1-2-12(17)16-13-15-7-9-19-13/h3-7,9H,1-2,8H2,(H,15,16,17).
What are the key properties of 4-(4-bromophenoxy)-N-(1,3-thiazol-2-yl)butanamide?
4-(4-bromophenoxy)-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 341.23 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 2679212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).