1-(2,5-dibromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

C13H8Br2N2OS — CID 115792047

IUPAC1-(2,5-dibromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESO=C(Cc1cn2ccsc2n1)c1cc(Br)ccc1Br
InChIInChI=1S/C13H8Br2N2OS/c14-8-1-2-11(15)10(5-8)12(18)6-9-7-17-3-4-19-13(17)16-9/h1-5,7H,6H2
InChIKeyUNWSEWLADGZBGM-UHFFFAOYSA-N
MW400.10 g/mol
LogP4.35
Rot. Bonds3

About 1-(2,5-dibromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

1-(2,5-dibromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (PubChem CID 115792047) has the molecular formula C13H8Br2N2OS and a molecular weight of 400.10 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
PubChem CID115792047
Molecular FormulaC13H8Br2N2OS
Molecular Weight400.10 g/mol
Exact Mass397.87
IUPAC Name1-(2,5-dibromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESO=C(Cc1cn2ccsc2n1)c1cc(Br)ccc1Br
InChIInChI=1S/C13H8Br2N2OS/c14-8-1-2-11(15)10(5-8)12(18)6-9-7-17-3-4-19-13(17)16-9/h1-5,7H,6H2
InChIKeyUNWSEWLADGZBGM-UHFFFAOYSA-N
XLogP4.35
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.10
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115792074
1-(3-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 113289105
5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 115331935
1-(3-bromophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 113289109
1-(2-chloro-4-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115333102
1-[5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanone
CID 78942887
1-[2-(2-aminoethyl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116577576
1-(2,4-dimethoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115791997
1-(3,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115791953
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methylphenyl)ethanone
CID 115333062
1-(2,3-dimethoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 105123051
1-(4-amino-3,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116609986

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The IUPAC name of 1-(2,5-dibromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (CID 115792047) is 1-(2,5-dibromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.
What is the SMILES notation for 1-(2,5-dibromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The canonical SMILES for 1-(2,5-dibromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is O=C(Cc1cn2ccsc2n1)c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The InChIKey is UNWSEWLADGZBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2N2OS/c14-8-1-2-11(15)10(5-8)12(18)6-9-7-17-3-4-19-13(17)16-9/h1-5,7H,6H2.
What are the key properties of 1-(2,5-dibromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
1-(2,5-dibromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone has a molecular weight of 400.10 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is sourced from PubChem (CID 115792047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).