5-iodo-2-(2-methoxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole

C9H12IN3OS — CID 156543348

IUPAC5-iodo-2-(2-methoxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCOC(C)(C)c1nn2c(I)c(C)nc2s1
InChIInChI=1S/C9H12IN3OS/c1-5-6(10)13-8(11-5)15-7(12-13)9(2,3)14-4/h1-4H3
InChIKeyBVVVVXQSDYOHMT-UHFFFAOYSA-N
MW337.19 g/mol
LogP2.59
Rot. Bonds2

About 5-iodo-2-(2-methoxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole

5-iodo-2-(2-methoxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 156543348) has the molecular formula C9H12IN3OS and a molecular weight of 337.19 g/mol. Its IUPAC name is 5-iodo-2-(2-methoxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name5-iodo-2-(2-methoxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID156543348
Molecular FormulaC9H12IN3OS
Molecular Weight337.19 g/mol
Exact Mass336.97
IUPAC Name5-iodo-2-(2-methoxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCOC(C)(C)c1nn2c(I)c(C)nc2s1
InChIInChI=1S/C9H12IN3OS/c1-5-6(10)13-8(11-5)15-7(12-13)9(2,3)14-4/h1-4H3
InChIKeyBVVVVXQSDYOHMT-UHFFFAOYSA-N
XLogP2.59
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 52.59
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 5-iodo-2-(2-methoxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 5-iodo-2-(2-methoxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole (CID 156543348) is 5-iodo-2-(2-methoxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 5-iodo-2-(2-methoxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 5-iodo-2-(2-methoxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole is COC(C)(C)c1nn2c(I)c(C)nc2s1.
What is the InChIKey of 5-iodo-2-(2-methoxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is BVVVVXQSDYOHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3OS/c1-5-6(10)13-8(11-5)15-7(12-13)9(2,3)14-4/h1-4H3.
What are the key properties of 5-iodo-2-(2-methoxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
5-iodo-2-(2-methoxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 337.19 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(2-methoxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 156543348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).