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

C13H9BrN2OS — CID 113289105

IUPAC1-(3-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESO=C(Cc1cn2ccsc2n1)c1cccc(Br)c1
InChIInChI=1S/C13H9BrN2OS/c14-10-3-1-2-9(6-10)12(17)7-11-8-16-4-5-18-13(16)15-11/h1-6,8H,7H2
InChIKeyGKDKQXDVACITIO-UHFFFAOYSA-N
MW321.20 g/mol
LogP3.58
Rot. Bonds3

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

1-(3-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (PubChem CID 113289105) has the molecular formula C13H9BrN2OS and a molecular weight of 321.20 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
PubChem CID113289105
Molecular FormulaC13H9BrN2OS
Molecular Weight321.20 g/mol
Exact Mass319.96
IUPAC Name1-(3-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESO=C(Cc1cn2ccsc2n1)c1cccc(Br)c1
InChIInChI=1S/C13H9BrN2OS/c14-10-3-1-2-9(6-10)12(17)7-11-8-16-4-5-18-13(16)15-11/h1-6,8H,7H2
InChIKeyGKDKQXDVACITIO-UHFFFAOYSA-N
XLogP3.58
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methylphenyl)ethanone
CID 115333062
1-(3-bromophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 113289109
1-(2,5-dibromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115792047
1-(4-bromo-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115792074
1-(3,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115791953
1-(4-chloro-3-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 107996572
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methoxy-4-methylphenyl)ethanone
CID 115792064
1-(4-amino-3,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116609986
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(6-methyl-3-pyridinyl)ethanone
CID 105123048
1-(2,3-dihydro-1H-indol-6-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116612096
6-[3-bromo-2-(3-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 113289485
5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 115331935

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The IUPAC name of 1-(3-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (CID 113289105) is 1-(3-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is O=C(Cc1cn2ccsc2n1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The InChIKey is GKDKQXDVACITIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2OS/c14-10-3-1-2-9(6-10)12(17)7-11-8-16-4-5-18-13(16)15-11/h1-6,8H,7H2.
What are the key properties of 1-(3-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
1-(3-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone has a molecular weight of 321.20 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is sourced from PubChem (CID 113289105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).