1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine

C14H17BrN2O2S — CID 115978905

IUPAC1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCCOc1cc(CNC)cc(Br)c1OCc1cncs1
InChIInChI=1S/C14H17BrN2O2S/c1-3-18-13-5-10(6-16-2)4-12(15)14(13)19-8-11-7-17-9-20-11/h4-5,7,9,16H,3,6,8H2,1-2H3
InChIKeyZHMIPLAMTMJQEH-UHFFFAOYSA-N
MW357.27 g/mol
LogP3.60
Rot. Bonds7

About 1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine

1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine (PubChem CID 115978905) has the molecular formula C14H17BrN2O2S and a molecular weight of 357.27 g/mol. Its IUPAC name is 1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
PubChem CID115978905
Molecular FormulaC14H17BrN2O2S
Molecular Weight357.27 g/mol
Exact Mass356.02
IUPAC Name1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCCOc1cc(CNC)cc(Br)c1OCc1cncs1
InChIInChI=1S/C14H17BrN2O2S/c1-3-18-13-5-10(6-16-2)4-12(15)14(13)19-8-11-7-17-9-20-11/h4-5,7,9,16H,3,6,8H2,1-2H3
InChIKeyZHMIPLAMTMJQEH-UHFFFAOYSA-N
XLogP3.60
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine 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

1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine
CID 115979305
1-[3,5-difluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 112640440
2-[3-bromo-5-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
CID 112643588
1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]-N-methylmethanamine
CID 65457314
1-[3-bromo-4-[(E)-but-2-enoxy]-5-ethoxyphenyl]-N-methylmethanamine
CID 60889104
2-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
CID 107739564
2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]acetamide
CID 4716458
1-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine
CID 107739833
1-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-N-methylmethanamine;hydrochloride
CID 17290699
1-[3-chloro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 112640373
N-[[3-bromo-5-ethoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine
CID 60889284
1-(3-bromo-4-cyclopentyloxy-5-ethoxyphenyl)-N-methylmethanamine
CID 43626927

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine (CID 115978905) is 1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine is CCOc1cc(CNC)cc(Br)c1OCc1cncs1.
What is the InChIKey of 1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine?
The InChIKey is ZHMIPLAMTMJQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2S/c1-3-18-13-5-10(6-16-2)4-12(15)14(13)19-8-11-7-17-9-20-11/h4-5,7,9,16H,3,6,8H2,1-2H3.
What are the key properties of 1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine?
1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine has a molecular weight of 357.27 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 115978905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).