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

C9H5IN4S — CID 66739967

IUPAC2-(3-iodoimidazo[1,2-a]pyridin-7-yl)-1,3,4-thiadiazole
SMILESIc1cnc2cc(-c3nncs3)ccn12
InChIInChI=1S/C9H5IN4S/c10-7-4-11-8-3-6(1-2-14(7)8)9-13-12-5-15-9/h1-5H
InChIKeyIDJQDFPAASBHIX-UHFFFAOYSA-N
MW328.14 g/mol
LogP2.46
Rot. Bonds1

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

2-(3-iodoimidazo[1,2-a]pyridin-7-yl)-1,3,4-thiadiazole (PubChem CID 66739967) has the molecular formula C9H5IN4S and a molecular weight of 328.14 g/mol. Its IUPAC name is 2-(3-iodoimidazo[1,2-a]pyridin-7-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3-iodoimidazo[1,2-a]pyridin-7-yl)-1,3,4-thiadiazole
PubChem CID66739967
Molecular FormulaC9H5IN4S
Molecular Weight328.14 g/mol
Exact Mass327.93
IUPAC Name2-(3-iodoimidazo[1,2-a]pyridin-7-yl)-1,3,4-thiadiazole
SMILESIc1cnc2cc(-c3nncs3)ccn12
InChIInChI=1S/C9H5IN4S/c10-7-4-11-8-3-6(1-2-14(7)8)9-13-12-5-15-9/h1-5H
InChIKeyIDJQDFPAASBHIX-UHFFFAOYSA-N
XLogP2.46
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.14
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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)-1,3,4-thiadiazole?
The IUPAC name of 2-(3-iodoimidazo[1,2-a]pyridin-7-yl)-1,3,4-thiadiazole (CID 66739967) is 2-(3-iodoimidazo[1,2-a]pyridin-7-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3-iodoimidazo[1,2-a]pyridin-7-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(3-iodoimidazo[1,2-a]pyridin-7-yl)-1,3,4-thiadiazole is Ic1cnc2cc(-c3nncs3)ccn12.
What is the InChIKey of 2-(3-iodoimidazo[1,2-a]pyridin-7-yl)-1,3,4-thiadiazole?
The InChIKey is IDJQDFPAASBHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5IN4S/c10-7-4-11-8-3-6(1-2-14(7)8)9-13-12-5-15-9/h1-5H.
What are the key properties of 2-(3-iodoimidazo[1,2-a]pyridin-7-yl)-1,3,4-thiadiazole?
2-(3-iodoimidazo[1,2-a]pyridin-7-yl)-1,3,4-thiadiazole has a molecular weight of 328.14 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodoimidazo[1,2-a]pyridin-7-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 66739967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).