2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-iodothiophen-3-yl)ethanol

C11H9IN2OS2 — CID 115828284

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-iodothiophen-3-yl)ethanol
SMILESOC(Cc1cn2ccsc2n1)c1csc(I)c1
InChIInChI=1S/C11H9IN2OS2/c12-10-3-7(6-17-10)9(15)4-8-5-14-1-2-16-11(14)13-8/h1-3,5-6,9,15H,4H2
InChIKeyFZZPDMRSHKZMKB-UHFFFAOYSA-N
MW376.24 g/mol
LogP3.34
Rot. Bonds3

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

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-iodothiophen-3-yl)ethanol (PubChem CID 115828284) has the molecular formula C11H9IN2OS2 and a molecular weight of 376.24 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-iodothiophen-3-yl)ethanol.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-iodothiophen-3-yl)ethanol
PubChem CID115828284
Molecular FormulaC11H9IN2OS2
Molecular Weight376.24 g/mol
Exact Mass375.92
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-iodothiophen-3-yl)ethanol
SMILESOC(Cc1cn2ccsc2n1)c1csc(I)c1
InChIInChI=1S/C11H9IN2OS2/c12-10-3-7(6-17-10)9(15)4-8-5-14-1-2-16-11(14)13-8/h1-3,5-6,9,15H,4H2
InChIKeyFZZPDMRSHKZMKB-UHFFFAOYSA-N
XLogP3.34
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-iodophenyl)ethanol
CID 115828163
1-(3,5-dimethylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115332851
1-(furan-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115332847
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylsulfanylphenyl)ethanol
CID 115828185
1-(4-chloro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115828301
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 104769476
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
1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065610
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-pyridin-2-ylethanol
CID 115332807
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methylphenyl)ethanol
CID 115332824

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-iodothiophen-3-yl)ethanol?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-iodothiophen-3-yl)ethanol (CID 115828284) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-iodothiophen-3-yl)ethanol.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-iodothiophen-3-yl)ethanol?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-iodothiophen-3-yl)ethanol is OC(Cc1cn2ccsc2n1)c1csc(I)c1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-iodothiophen-3-yl)ethanol?
The InChIKey is FZZPDMRSHKZMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2OS2/c12-10-3-7(6-17-10)9(15)4-8-5-14-1-2-16-11(14)13-8/h1-3,5-6,9,15H,4H2.
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-iodothiophen-3-yl)ethanol?
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-iodothiophen-3-yl)ethanol has a molecular weight of 376.24 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-iodothiophen-3-yl)ethanol is sourced from PubChem (CID 115828284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).