1-(2-amino-5-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol

C13H12BrN3OS — CID 82704079

IUPAC1-(2-amino-5-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
SMILESNc1ccc(Br)cc1C(O)Cc1cn2ccsc2n1
InChIInChI=1S/C13H12BrN3OS/c14-8-1-2-11(15)10(5-8)12(18)6-9-7-17-3-4-19-13(17)16-9/h1-5,7,12,18H,6,15H2
InChIKeyBFCBDVBLFDBQCK-UHFFFAOYSA-N
MW338.23 g/mol
LogP3.02
Rot. Bonds3

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

1-(2-amino-5-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol (PubChem CID 82704079) has the molecular formula C13H12BrN3OS and a molecular weight of 338.23 g/mol. Its IUPAC name is 1-(2-amino-5-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol.

Molecular Properties

Compound Name1-(2-amino-5-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
PubChem CID82704079
Molecular FormulaC13H12BrN3OS
Molecular Weight338.23 g/mol
Exact Mass336.99
IUPAC Name1-(2-amino-5-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
SMILESNc1ccc(Br)cc1C(O)Cc1cn2ccsc2n1
InChIInChI=1S/C13H12BrN3OS/c14-8-1-2-11(15)10(5-8)12(18)6-9-7-17-3-4-19-13(17)16-9/h1-5,7,12,18H,6,15H2
InChIKeyBFCBDVBLFDBQCK-UHFFFAOYSA-N
XLogP3.02
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 113289157
1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 107969828
1-(4-bromo-2-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 114906198
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-(2-methylphenyl)ethanol
CID 115332824
1-(2,5-dimethylthiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115332858
1-(2,5-dibromophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023646
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-iodophenyl)ethanol
CID 115828163
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyridin-2-ylethanol
CID 115332807
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
1-(3,5-dimethylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115332851

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol?
The IUPAC name of 1-(2-amino-5-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol (CID 82704079) is 1-(2-amino-5-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol.
What is the SMILES notation for 1-(2-amino-5-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol?
The canonical SMILES for 1-(2-amino-5-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol is Nc1ccc(Br)cc1C(O)Cc1cn2ccsc2n1.
What is the InChIKey of 1-(2-amino-5-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol?
The InChIKey is BFCBDVBLFDBQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3OS/c14-8-1-2-11(15)10(5-8)12(18)6-9-7-17-3-4-19-13(17)16-9/h1-5,7,12,18H,6,15H2.
What are the key properties of 1-(2-amino-5-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol?
1-(2-amino-5-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol has a molecular weight of 338.23 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol is sourced from PubChem (CID 82704079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).