1-(2-aminophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol

C13H13N3OS — CID 113289157

IUPAC1-(2-aminophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
SMILESNc1ccccc1C(O)Cc1cn2ccsc2n1
InChIInChI=1S/C13H13N3OS/c14-11-4-2-1-3-10(11)12(17)7-9-8-16-5-6-18-13(16)15-9/h1-6,8,12,17H,7,14H2
InChIKeyWMJWENRCPPSGDL-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.25
Rot. Bonds3

About 1-(2-aminophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol

1-(2-aminophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol (PubChem CID 113289157) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-(2-aminophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol.

Molecular Properties

Compound Name1-(2-aminophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
PubChem CID113289157
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name1-(2-aminophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
SMILESNc1ccccc1C(O)Cc1cn2ccsc2n1
InChIInChI=1S/C13H13N3OS/c14-11-4-2-1-3-10(11)12(17)7-9-8-16-5-6-18-13(16)15-9/h1-6,8,12,17H,7,14H2
InChIKeyWMJWENRCPPSGDL-UHFFFAOYSA-N
XLogP2.25
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.25
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

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methylphenyl)ethanol
CID 115332824
1-(2-amino-5-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 82704079
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-(trifluoromethyl)phenyl]ethanol
CID 115332817
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-pyridin-2-ylethanol
CID 115332807
1-(2,5-dimethylthiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115332858
1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 107969828
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-iodophenyl)ethanol
CID 115828163
1-(furan-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115332847
2-(2-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
CID 115334426
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylsulfanylphenyl)ethanol
CID 115828185
3-imidazo[2,1-b][1,3]thiazol-6-yl-2-(2-methylphenyl)propanoic acid
CID 115332537

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol?
The IUPAC name of 1-(2-aminophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol (CID 113289157) is 1-(2-aminophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol.
What is the SMILES notation for 1-(2-aminophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol?
The canonical SMILES for 1-(2-aminophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol is Nc1ccccc1C(O)Cc1cn2ccsc2n1.
What is the InChIKey of 1-(2-aminophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol?
The InChIKey is WMJWENRCPPSGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c14-11-4-2-1-3-10(11)12(17)7-9-8-16-5-6-18-13(16)15-9/h1-6,8,12,17H,7,14H2.
What are the key properties of 1-(2-aminophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol?
1-(2-aminophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol has a molecular weight of 259.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol is sourced from PubChem (CID 113289157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).