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

C8H7FIN3S — CID 156543513

IUPAC2-(1-fluorocyclopropyl)-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nc2sc(C3(F)CC3)nn2c1I
InChIInChI=1S/C8H7FIN3S/c1-4-5(10)13-7(11-4)14-6(12-13)8(9)2-3-8/h2-3H2,1H3
InChIKeyKOIXJLOONHWZFT-UHFFFAOYSA-N
MW323.13 g/mol
LogP2.66
Rot. Bonds1

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

2-(1-fluorocyclopropyl)-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 156543513) has the molecular formula C8H7FIN3S and a molecular weight of 323.13 g/mol. Its IUPAC name is 2-(1-fluorocyclopropyl)-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-(1-fluorocyclopropyl)-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID156543513
Molecular FormulaC8H7FIN3S
Molecular Weight323.13 g/mol
Exact Mass322.94
IUPAC Name2-(1-fluorocyclopropyl)-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nc2sc(C3(F)CC3)nn2c1I
InChIInChI=1S/C8H7FIN3S/c1-4-5(10)13-7(11-4)14-6(12-13)8(9)2-3-8/h2-3H2,1H3
InChIKeyKOIXJLOONHWZFT-UHFFFAOYSA-N
XLogP2.66
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.13
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(1-fluorocyclopropyl)-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-(1-fluorocyclopropyl)-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole (CID 156543513) is 2-(1-fluorocyclopropyl)-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-(1-fluorocyclopropyl)-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-(1-fluorocyclopropyl)-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole is Cc1nc2sc(C3(F)CC3)nn2c1I.
What is the InChIKey of 2-(1-fluorocyclopropyl)-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is KOIXJLOONHWZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FIN3S/c1-4-5(10)13-7(11-4)14-6(12-13)8(9)2-3-8/h2-3H2,1H3.
What are the key properties of 2-(1-fluorocyclopropyl)-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
2-(1-fluorocyclopropyl)-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 323.13 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclopropyl)-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 156543513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).