2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide

C14H13BrN2O2S — CID 166393856

IUPAC2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide
SMILESO=C(CC1(Oc2ccc(Br)cc2)CC1)Nc1cncs1
InChIInChI=1S/C14H13BrN2O2S/c15-10-1-3-11(4-2-10)19-14(5-6-14)7-12(18)17-13-8-16-9-20-13/h1-4,8-9H,5-7H2,(H,17,18)
InChIKeyFVMUPYIAWURZKK-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.85
Rot. Bonds5

About 2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide

2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide (PubChem CID 166393856) has the molecular formula C14H13BrN2O2S and a molecular weight of 353.24 g/mol. Its IUPAC name is 2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide
PubChem CID166393856
Molecular FormulaC14H13BrN2O2S
Molecular Weight353.24 g/mol
Exact Mass351.99
IUPAC Name2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide
SMILESO=C(CC1(Oc2ccc(Br)cc2)CC1)Nc1cncs1
InChIInChI=1S/C14H13BrN2O2S/c15-10-1-3-11(4-2-10)19-14(5-6-14)7-12(18)17-13-8-16-9-20-13/h1-4,8-9H,5-7H2,(H,17,18)
InChIKeyFVMUPYIAWURZKK-UHFFFAOYSA-N
XLogP3.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide 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 2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide?
The IUPAC name of 2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide (CID 166393856) is 2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for 2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide?
The canonical SMILES for 2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide is O=C(CC1(Oc2ccc(Br)cc2)CC1)Nc1cncs1.
What is the InChIKey of 2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide?
The InChIKey is FVMUPYIAWURZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2S/c15-10-1-3-11(4-2-10)19-14(5-6-14)7-12(18)17-13-8-16-9-20-13/h1-4,8-9H,5-7H2,(H,17,18).
What are the key properties of 2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide?
2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide has a molecular weight of 353.24 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 166393856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).