1-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclopropan-1-ol

C8H8IN3OS — CID 166003402

IUPAC1-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclopropan-1-ol
SMILESCc1nc2sc(C3(O)CC3)nn2c1I
InChIInChI=1S/C8H8IN3OS/c1-4-5(9)12-7(10-4)14-6(11-12)8(13)2-3-8/h13H,2-3H2,1H3
InChIKeyLVBYGVOJNKJICQ-UHFFFAOYSA-N
MW321.14 g/mol
LogP1.69
Rot. Bonds1

About 1-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclopropan-1-ol

1-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclopropan-1-ol (PubChem CID 166003402) has the molecular formula C8H8IN3OS and a molecular weight of 321.14 g/mol. Its IUPAC name is 1-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclopropan-1-ol
PubChem CID166003402
Molecular FormulaC8H8IN3OS
Molecular Weight321.14 g/mol
Exact Mass320.94
IUPAC Name1-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclopropan-1-ol
SMILESCc1nc2sc(C3(O)CC3)nn2c1I
InChIInChI=1S/C8H8IN3OS/c1-4-5(9)12-7(10-4)14-6(11-12)8(13)2-3-8/h13H,2-3H2,1H3
InChIKeyLVBYGVOJNKJICQ-UHFFFAOYSA-N
XLogP1.69
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.14
LogP ≤ 51.69
H-Bond Donors ≤ 51
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 1-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclopropan-1-ol?
The IUPAC name of 1-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclopropan-1-ol (CID 166003402) is 1-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclopropan-1-ol.
What is the SMILES notation for 1-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclopropan-1-ol?
The canonical SMILES for 1-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclopropan-1-ol is Cc1nc2sc(C3(O)CC3)nn2c1I.
What is the InChIKey of 1-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclopropan-1-ol?
The InChIKey is LVBYGVOJNKJICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8IN3OS/c1-4-5(9)12-7(10-4)14-6(11-12)8(13)2-3-8/h13H,2-3H2,1H3.
What are the key properties of 1-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclopropan-1-ol?
1-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclopropan-1-ol has a molecular weight of 321.14 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclopropan-1-ol is sourced from PubChem (CID 166003402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).