2-(3-iodoimidazo[1,2-a]pyridin-7-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole

C12H8IN5S — CID 138541437

IUPAC2-(3-iodoimidazo[1,2-a]pyridin-7-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1cn2nc(-c3ccn4c(I)cnc4c3)sc2n1
InChIInChI=1S/C12H8IN5S/c1-7-6-18-12(15-7)19-11(16-18)8-2-3-17-9(13)5-14-10(17)4-8/h2-6H,1H3
InChIKeyRLEHRNKUVMOVMD-UHFFFAOYSA-N
MW381.20 g/mol
LogP3.02
Rot. Bonds1

About 2-(3-iodoimidazo[1,2-a]pyridin-7-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole

2-(3-iodoimidazo[1,2-a]pyridin-7-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 138541437) has the molecular formula C12H8IN5S and a molecular weight of 381.20 g/mol. Its IUPAC name is 2-(3-iodoimidazo[1,2-a]pyridin-7-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-(3-iodoimidazo[1,2-a]pyridin-7-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID138541437
Molecular FormulaC12H8IN5S
Molecular Weight381.20 g/mol
Exact Mass380.95
IUPAC Name2-(3-iodoimidazo[1,2-a]pyridin-7-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1cn2nc(-c3ccn4c(I)cnc4c3)sc2n1
InChIInChI=1S/C12H8IN5S/c1-7-6-18-12(15-7)19-11(16-18)8-2-3-17-9(13)5-14-10(17)4-8/h2-6H,1H3
InChIKeyRLEHRNKUVMOVMD-UHFFFAOYSA-N
XLogP3.02
TPSA47.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.20
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-iodoimidazo[1,2-a]pyridin-7-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-(3-iodoimidazo[1,2-a]pyridin-7-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole (CID 138541437) is 2-(3-iodoimidazo[1,2-a]pyridin-7-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-(3-iodoimidazo[1,2-a]pyridin-7-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-(3-iodoimidazo[1,2-a]pyridin-7-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole is Cc1cn2nc(-c3ccn4c(I)cnc4c3)sc2n1.
What is the InChIKey of 2-(3-iodoimidazo[1,2-a]pyridin-7-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is RLEHRNKUVMOVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8IN5S/c1-7-6-18-12(15-7)19-11(16-18)8-2-3-17-9(13)5-14-10(17)4-8/h2-6H,1H3.
What are the key properties of 2-(3-iodoimidazo[1,2-a]pyridin-7-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
2-(3-iodoimidazo[1,2-a]pyridin-7-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 381.20 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodoimidazo[1,2-a]pyridin-7-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 138541437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).