5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxypyridin-3-amine

C10H8IN5OS — CID 66690598

IUPAC5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxypyridin-3-amine
SMILESCOc1ncc(-c2nn3cc(I)nc3s2)cc1N
InChIInChI=1S/C10H8IN5OS/c1-17-8-6(12)2-5(3-13-8)9-15-16-4-7(11)14-10(16)18-9/h2-4H,12H2,1H3
InChIKeyDUHKMPUSAACUGF-UHFFFAOYSA-N
MW373.18 g/mol
LogP2.05
Rot. Bonds2

About 5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxypyridin-3-amine

5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxypyridin-3-amine (PubChem CID 66690598) has the molecular formula C10H8IN5OS and a molecular weight of 373.18 g/mol. Its IUPAC name is 5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxypyridin-3-amine.

Molecular Properties

Compound Name5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxypyridin-3-amine
PubChem CID66690598
Molecular FormulaC10H8IN5OS
Molecular Weight373.18 g/mol
Exact Mass372.95
IUPAC Name5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxypyridin-3-amine
SMILESCOc1ncc(-c2nn3cc(I)nc3s2)cc1N
InChIInChI=1S/C10H8IN5OS/c1-17-8-6(12)2-5(3-13-8)9-15-16-4-7(11)14-10(16)18-9/h2-4H,12H2,1H3
InChIKeyDUHKMPUSAACUGF-UHFFFAOYSA-N
XLogP2.05
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.18
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxypyridin-3-amine?
The IUPAC name of 5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxypyridin-3-amine (CID 66690598) is 5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxypyridin-3-amine.
What is the SMILES notation for 5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxypyridin-3-amine?
The canonical SMILES for 5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxypyridin-3-amine is COc1ncc(-c2nn3cc(I)nc3s2)cc1N.
What is the InChIKey of 5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxypyridin-3-amine?
The InChIKey is DUHKMPUSAACUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8IN5OS/c1-17-8-6(12)2-5(3-13-8)9-15-16-4-7(11)14-10(16)18-9/h2-4H,12H2,1H3.
What are the key properties of 5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxypyridin-3-amine?
5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxypyridin-3-amine has a molecular weight of 373.18 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxypyridin-3-amine is sourced from PubChem (CID 66690598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).