1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol

C11H8Br2N2OS2 — CID 107969828

IUPAC1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
SMILESOC(Cc1cn2ccsc2n1)c1cc(Br)sc1Br
InChIInChI=1S/C11H8Br2N2OS2/c12-9-4-7(10(13)18-9)8(16)3-6-5-15-1-2-17-11(15)14-6/h1-2,4-5,8,16H,3H2
InChIKeyYTAVPMIWGCKAEP-UHFFFAOYSA-N
MW408.14 g/mol
LogP4.26
Rot. Bonds3

About 1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol

1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol (PubChem CID 107969828) has the molecular formula C11H8Br2N2OS2 and a molecular weight of 408.14 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
PubChem CID107969828
Molecular FormulaC11H8Br2N2OS2
Molecular Weight408.14 g/mol
Exact Mass405.84
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
SMILESOC(Cc1cn2ccsc2n1)c1cc(Br)sc1Br
InChIInChI=1S/C11H8Br2N2OS2/c12-9-4-7(10(13)18-9)8(16)3-6-5-15-1-2-17-11(15)14-6/h1-2,4-5,8,16H,3H2
InChIKeyYTAVPMIWGCKAEP-UHFFFAOYSA-N
XLogP4.26
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.14
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine
CID 107968859
1-(2,5-dimethylthiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115332858
1-(2-amino-5-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 82704079
1-(2-aminophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 113289157
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methylphenyl)ethanol
CID 115332824
1-(3,5-dimethylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115332851
1-(5-amino-1H-pyrazol-4-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115333291
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-iodothiophen-3-yl)ethanol
CID 115828284
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-(trifluoromethyl)phenyl]ethanol
CID 115332817
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methoxy-4-methylphenyl)ethanol
CID 106791040
6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole
CID 115335190
6-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335272

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol (CID 107969828) is 1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol is OC(Cc1cn2ccsc2n1)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol?
The InChIKey is YTAVPMIWGCKAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2OS2/c12-9-4-7(10(13)18-9)8(16)3-6-5-15-1-2-17-11(15)14-6/h1-2,4-5,8,16H,3H2.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol?
1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol has a molecular weight of 408.14 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol is sourced from PubChem (CID 107969828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).