1-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-one

C8H7IN4OS — CID 66749996

IUPAC1-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-one
SMILESO=C1CCCN1c1nn2cc(I)nc2s1
InChIInChI=1S/C8H7IN4OS/c9-5-4-13-7(10-5)15-8(11-13)12-3-1-2-6(12)14/h4H,1-3H2
InChIKeyKFOKXQQLXGSGIC-UHFFFAOYSA-N
MW334.14 g/mol
LogP1.52
Rot. Bonds1

About 1-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-one

1-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-one (PubChem CID 66749996) has the molecular formula C8H7IN4OS and a molecular weight of 334.14 g/mol. Its IUPAC name is 1-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-one
PubChem CID66749996
Molecular FormulaC8H7IN4OS
Molecular Weight334.14 g/mol
Exact Mass333.94
IUPAC Name1-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-one
SMILESO=C1CCCN1c1nn2cc(I)nc2s1
InChIInChI=1S/C8H7IN4OS/c9-5-4-13-7(10-5)15-8(11-13)12-3-1-2-6(12)14/h4H,1-3H2
InChIKeyKFOKXQQLXGSGIC-UHFFFAOYSA-N
XLogP1.52
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.14
LogP ≤ 51.52
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 1-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-one (CID 66749996) is 1-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-one is O=C1CCCN1c1nn2cc(I)nc2s1.
What is the InChIKey of 1-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-one?
The InChIKey is KFOKXQQLXGSGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN4OS/c9-5-4-13-7(10-5)15-8(11-13)12-3-1-2-6(12)14/h4H,1-3H2.
What are the key properties of 1-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-one?
1-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-one has a molecular weight of 334.14 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 66749996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).