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

C12H12Br2N2OS — CID 107739564

IUPAC2-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
SMILESNCCc1cc(Br)c(OCc2cncs2)c(Br)c1
InChIInChI=1S/C12H12Br2N2OS/c13-10-3-8(1-2-15)4-11(14)12(10)17-6-9-5-16-7-18-9/h3-5,7H,1-2,6,15H2
InChIKeyWFWWYSVAKJYQHB-UHFFFAOYSA-N
MW392.12 g/mol
LogP3.75
Rot. Bonds5

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

2-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine (PubChem CID 107739564) has the molecular formula C12H12Br2N2OS and a molecular weight of 392.12 g/mol. Its IUPAC name is 2-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
PubChem CID107739564
Molecular FormulaC12H12Br2N2OS
Molecular Weight392.12 g/mol
Exact Mass389.90
IUPAC Name2-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
SMILESNCCc1cc(Br)c(OCc2cncs2)c(Br)c1
InChIInChI=1S/C12H12Br2N2OS/c13-10-3-8(1-2-15)4-11(14)12(10)17-6-9-5-16-7-18-9/h3-5,7H,1-2,6,15H2
InChIKeyWFWWYSVAKJYQHB-UHFFFAOYSA-N
XLogP3.75
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.12
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-bromo-5-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
CID 112643588
1-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine
CID 107739833
2-[3,5-dibromo-4-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanamine
CID 107739418
1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine
CID 115979305
3,5-dichloro-4-(1,3-thiazol-5-ylmethoxy)aniline
CID 112640173
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
2-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]ethanamine
CID 107739438
5-[[2-(bromomethyl)-4,6-dichlorophenoxy]methyl]-1,3-thiazole
CID 112641139
2-[3,5-dibromo-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 107739556
5-[(3-bromo-4-fluorophenoxy)methyl]-1,3-thiazole
CID 112640679
2-[3,5-dibromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 107739575

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine (CID 107739564) is 2-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine is NCCc1cc(Br)c(OCc2cncs2)c(Br)c1.
What is the InChIKey of 2-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine?
The InChIKey is WFWWYSVAKJYQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N2OS/c13-10-3-8(1-2-15)4-11(14)12(10)17-6-9-5-16-7-18-9/h3-5,7H,1-2,6,15H2.
What are the key properties of 2-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine?
2-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine has a molecular weight of 392.12 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 107739564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).