4-[(E)-2-[3-bromo-4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-thiazol-2-amine

C14H15BrN2O2S — CID 104658438

IUPAC4-[(E)-2-[3-bromo-4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-thiazol-2-amine
SMILESCOCCOc1ccc(/C=C/c2csc(N)n2)cc1Br
InChIInChI=1S/C14H15BrN2O2S/c1-18-6-7-19-13-5-3-10(8-12(13)15)2-4-11-9-20-14(16)17-11/h2-5,8-9H,6-7H2,1H3,(H2,16,17)/b4-2+
InChIKeyXJSVXHXHYOXTCT-DUXPYHPUSA-N
MW355.26 g/mol
LogP3.68
Rot. Bonds6

About 4-[(E)-2-[3-bromo-4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-thiazol-2-amine

4-[(E)-2-[3-bromo-4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-thiazol-2-amine (PubChem CID 104658438) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 4-[(E)-2-[3-bromo-4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(E)-2-[3-bromo-4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-thiazol-2-amine
PubChem CID104658438
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name4-[(E)-2-[3-bromo-4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-thiazol-2-amine
SMILESCOCCOc1ccc(/C=C/c2csc(N)n2)cc1Br
InChIInChI=1S/C14H15BrN2O2S/c1-18-6-7-19-13-5-3-10(8-12(13)15)2-4-11-9-20-14(16)17-11/h2-5,8-9H,6-7H2,1H3,(H2,16,17)/b4-2+
InChIKeyXJSVXHXHYOXTCT-DUXPYHPUSA-N
XLogP3.68
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-[3-bromo-4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-thiazol-2-amine 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 4-[(E)-2-[3-bromo-4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(E)-2-[3-bromo-4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-thiazol-2-amine (CID 104658438) is 4-[(E)-2-[3-bromo-4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(E)-2-[3-bromo-4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(E)-2-[3-bromo-4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-thiazol-2-amine is COCCOc1ccc(/C=C/c2csc(N)n2)cc1Br.
What is the InChIKey of 4-[(E)-2-[3-bromo-4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-thiazol-2-amine?
The InChIKey is XJSVXHXHYOXTCT-DUXPYHPUSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-18-6-7-19-13-5-3-10(8-12(13)15)2-4-11-9-20-14(16)17-11/h2-5,8-9H,6-7H2,1H3,(H2,16,17)/b4-2+.
What are the key properties of 4-[(E)-2-[3-bromo-4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-thiazol-2-amine?
4-[(E)-2-[3-bromo-4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-thiazol-2-amine has a molecular weight of 355.26 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[3-bromo-4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 104658438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).