[3-bromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine

C13H12BrN3OS — CID 115331341

IUPAC[3-bromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine
SMILESNCc1ccc(OCc2cn3ccsc3n2)c(Br)c1
InChIInChI=1S/C13H12BrN3OS/c14-11-5-9(6-15)1-2-12(11)18-8-10-7-17-3-4-19-13(17)16-10/h1-5,7H,6,8,15H2
InChIKeyPKJYPPAXVLZEFJ-UHFFFAOYSA-N
MW338.23 g/mol
LogP3.20
Rot. Bonds4

About [3-bromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine

[3-bromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine (PubChem CID 115331341) has the molecular formula C13H12BrN3OS and a molecular weight of 338.23 g/mol. Its IUPAC name is [3-bromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine
PubChem CID115331341
Molecular FormulaC13H12BrN3OS
Molecular Weight338.23 g/mol
Exact Mass336.99
IUPAC Name[3-bromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine
SMILESNCc1ccc(OCc2cn3ccsc3n2)c(Br)c1
InChIInChI=1S/C13H12BrN3OS/c14-11-5-9(6-15)1-2-12(11)18-8-10-7-17-3-4-19-13(17)16-10/h1-5,7H,6,8,15H2
InChIKeyPKJYPPAXVLZEFJ-UHFFFAOYSA-N
XLogP3.20
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3,5-dibromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine
CID 107741325
[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-3-nitrophenyl]methanamine
CID 115331283
[5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine
CID 115331284
5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 115331935
6-[(5-bromo-2-fluorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 114672715
1-[5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanone
CID 78942887
1-[3-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylmethanamine
CID 107686523
6-[(2-bromo-5-nitrophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 103013389
3,5-dichloro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)aniline
CID 115331203
[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanol
CID 113288919
[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-methoxyphenyl]methanol
CID 115332156
[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indol-6-yl]methanamine
CID 115334616

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine?
The IUPAC name of [3-bromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine (CID 115331341) is [3-bromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [3-bromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [3-bromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine is NCc1ccc(OCc2cn3ccsc3n2)c(Br)c1.
What is the InChIKey of [3-bromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine?
The InChIKey is PKJYPPAXVLZEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3OS/c14-11-5-9(6-15)1-2-12(11)18-8-10-7-17-3-4-19-13(17)16-10/h1-5,7H,6,8,15H2.
What are the key properties of [3-bromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine?
[3-bromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine has a molecular weight of 338.23 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 115331341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).