6-(4-iodophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide

C11H10BrIN2S — CID 158709331

IUPAC6-(4-iodophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
SMILESBr.Ic1ccc(-c2cn3c(n2)SCC3)cc1
InChIInChI=1S/C11H9IN2S.BrH/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10;/h1-4,7H,5-6H2;1H
InChIKeyIINFTFQYFDFUSP-UHFFFAOYSA-N
MW409.09 g/mol
LogP3.84
Rot. Bonds1

About 6-(4-iodophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide

6-(4-iodophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide (PubChem CID 158709331) has the molecular formula C11H10BrIN2S and a molecular weight of 409.09 g/mol. Its IUPAC name is 6-(4-iodophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide.

Molecular Properties

Compound Name6-(4-iodophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
PubChem CID158709331
Molecular FormulaC11H10BrIN2S
Molecular Weight409.09 g/mol
Exact Mass407.88
IUPAC Name6-(4-iodophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
SMILESBr.Ic1ccc(-c2cn3c(n2)SCC3)cc1
InChIInChI=1S/C11H9IN2S.BrH/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10;/h1-4,7H,5-6H2;1H
InChIKeyIINFTFQYFDFUSP-UHFFFAOYSA-N
XLogP3.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.09
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-iodophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The IUPAC name of 6-(4-iodophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide (CID 158709331) is 6-(4-iodophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide.
What is the SMILES notation for 6-(4-iodophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The canonical SMILES for 6-(4-iodophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide is Br.Ic1ccc(-c2cn3c(n2)SCC3)cc1.
What is the InChIKey of 6-(4-iodophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The InChIKey is IINFTFQYFDFUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2S.BrH/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10;/h1-4,7H,5-6H2;1H.
What are the key properties of 6-(4-iodophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
6-(4-iodophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide has a molecular weight of 409.09 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-iodophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide is sourced from PubChem (CID 158709331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).