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

C13H11IN2OS — CID 115828163

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-iodophenyl)ethanol
SMILESOC(Cc1cn2ccsc2n1)c1cccc(I)c1
InChIInChI=1S/C13H11IN2OS/c14-10-3-1-2-9(6-10)12(17)7-11-8-16-4-5-18-13(16)15-11/h1-6,8,12,17H,7H2
InChIKeyZYOLRVCHOIDXLI-UHFFFAOYSA-N
MW370.22 g/mol
LogP3.28
Rot. Bonds3

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

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-iodophenyl)ethanol (PubChem CID 115828163) has the molecular formula C13H11IN2OS and a molecular weight of 370.22 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-iodophenyl)ethanol.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-iodophenyl)ethanol
PubChem CID115828163
Molecular FormulaC13H11IN2OS
Molecular Weight370.22 g/mol
Exact Mass369.96
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-iodophenyl)ethanol
SMILESOC(Cc1cn2ccsc2n1)c1cccc(I)c1
InChIInChI=1S/C13H11IN2OS/c14-10-3-1-2-9(6-10)12(17)7-11-8-16-4-5-18-13(16)15-11/h1-6,8,12,17H,7H2
InChIKeyZYOLRVCHOIDXLI-UHFFFAOYSA-N
XLogP3.28
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5-iodothiophen-3-yl)ethanol
CID 115828284
1-(3,5-dimethylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115332851
1-(4-chloro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115828301
1-(furan-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115332847
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-(4-methylsulfanylphenyl)ethanol
CID 115828185
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
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-(trifluoromethyl)phenyl]ethanol
CID 115332817
1-(2-amino-5-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 82704079
6-[3-bromo-2-(3-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 113289485
1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 107969828

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-iodophenyl)ethanol?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-iodophenyl)ethanol (CID 115828163) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-iodophenyl)ethanol.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-iodophenyl)ethanol?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-iodophenyl)ethanol is OC(Cc1cn2ccsc2n1)c1cccc(I)c1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-iodophenyl)ethanol?
The InChIKey is ZYOLRVCHOIDXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN2OS/c14-10-3-1-2-9(6-10)12(17)7-11-8-16-4-5-18-13(16)15-11/h1-6,8,12,17H,7H2.
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-iodophenyl)ethanol?
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-iodophenyl)ethanol has a molecular weight of 370.22 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-iodophenyl)ethanol is sourced from PubChem (CID 115828163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).