[3,5-dibromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine

C13H11Br2N3OS — CID 107741325

IUPAC[3,5-dibromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine
SMILESNCc1cc(Br)c(OCc2cn3ccsc3n2)c(Br)c1
InChIInChI=1S/C13H11Br2N3OS/c14-10-3-8(5-16)4-11(15)12(10)19-7-9-6-18-1-2-20-13(18)17-9/h1-4,6H,5,7,16H2
InChIKeyLAZAOPIOEDZSPV-UHFFFAOYSA-N
MW417.13 g/mol
LogP3.96
Rot. Bonds4

About [3,5-dibromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine

[3,5-dibromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine (PubChem CID 107741325) has the molecular formula C13H11Br2N3OS and a molecular weight of 417.13 g/mol. Its IUPAC name is [3,5-dibromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3,5-dibromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine
PubChem CID107741325
Molecular FormulaC13H11Br2N3OS
Molecular Weight417.13 g/mol
Exact Mass414.90
IUPAC Name[3,5-dibromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine
SMILESNCc1cc(Br)c(OCc2cn3ccsc3n2)c(Br)c1
InChIInChI=1S/C13H11Br2N3OS/c14-10-3-8(5-16)4-11(15)12(10)19-7-9-6-18-1-2-20-13(18)17-9/h1-4,6H,5,7,16H2
InChIKeyLAZAOPIOEDZSPV-UHFFFAOYSA-N
XLogP3.96
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.13
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-bromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine
CID 115331341
3,5-dichloro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)aniline
CID 115331203
3-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 115331937
[5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine
CID 115331284
6-[(5-bromo-2-fluorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 114672715
[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-3-nitrophenyl]methanamine
CID 115331283
2-[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanamine
CID 115957858
6-[(3-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334810
6-[(2-bromo-5-nitrophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 103013389
5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 115331935
2-amino-5-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 107076961
3-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzaldehyde
CID 112611429

Frequently Asked Questions

What is the IUPAC name of [3,5-dibromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine?
The IUPAC name of [3,5-dibromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine (CID 107741325) is [3,5-dibromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [3,5-dibromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [3,5-dibromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine is NCc1cc(Br)c(OCc2cn3ccsc3n2)c(Br)c1.
What is the InChIKey of [3,5-dibromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine?
The InChIKey is LAZAOPIOEDZSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2N3OS/c14-10-3-8(5-16)4-11(15)12(10)19-7-9-6-18-1-2-20-13(18)17-9/h1-4,6H,5,7,16H2.
What are the key properties of [3,5-dibromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine?
[3,5-dibromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine has a molecular weight of 417.13 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dibromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 107741325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).