1-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine

C13H14Br2N2OS — CID 107739833

IUPAC1-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(Br)c(OCc2cncs2)c(Br)c1
InChIInChI=1S/C13H14Br2N2OS/c1-8(16)2-9-3-11(14)13(12(15)4-9)18-6-10-5-17-7-19-10/h3-5,7-8H,2,6,16H2,1H3
InChIKeyBBTPQEHQMIADAQ-UHFFFAOYSA-N
MW406.14 g/mol
LogP4.14
Rot. Bonds5

About 1-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine

1-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine (PubChem CID 107739833) has the molecular formula C13H14Br2N2OS and a molecular weight of 406.14 g/mol. Its IUPAC name is 1-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine
PubChem CID107739833
Molecular FormulaC13H14Br2N2OS
Molecular Weight406.14 g/mol
Exact Mass403.92
IUPAC Name1-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(Br)c(OCc2cncs2)c(Br)c1
InChIInChI=1S/C13H14Br2N2OS/c1-8(16)2-9-3-11(14)13(12(15)4-9)18-6-10-5-17-7-19-10/h3-5,7-8H,2,6,16H2,1H3
InChIKeyBBTPQEHQMIADAQ-UHFFFAOYSA-N
XLogP4.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.14
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-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

Related Compounds

1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine
CID 115979305
2-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
CID 107739564
1-[5-chloro-3-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine
CID 104666966
2-[3-bromo-5-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
CID 112643588
1-(1,3-thiazol-5-yl)propan-2-amine
CID 60748054
3-bromo-2-(1,3-thiazol-5-ylmethoxy)aniline
CID 112640206
1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 115978905
5-[[2-(bromomethyl)-4,6-dichlorophenoxy]methyl]-1,3-thiazole
CID 112641139
(1R)-1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanamine
CID 103953958
3,5-dichloro-4-(1,3-thiazol-5-ylmethoxy)aniline
CID 112640173
1-[2-bromo-5-(1,3-thiazol-5-ylmethoxy)phenyl]butan-2-amine
CID 112643638
1-[3,5-dibromo-4-(2-ethoxyethoxy)phenyl]propan-2-amine
CID 107739733

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine (CID 107739833) is 1-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine is CC(N)Cc1cc(Br)c(OCc2cncs2)c(Br)c1.
What is the InChIKey of 1-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine?
The InChIKey is BBTPQEHQMIADAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2OS/c1-8(16)2-9-3-11(14)13(12(15)4-9)18-6-10-5-17-7-19-10/h3-5,7-8H,2,6,16H2,1H3.
What are the key properties of 1-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine?
1-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine has a molecular weight of 406.14 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 107739833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).