3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-5-iodo-1,2,4-thiadiazole

C10H8IN3S — CID 130591033

IUPAC3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-5-iodo-1,2,4-thiadiazole
SMILESIc1nc(-c2ccc3c(n2)CCC3)ns1
InChIInChI=1S/C10H8IN3S/c11-10-13-9(14-15-10)8-5-4-6-2-1-3-7(6)12-8/h4-5H,1-3H2
InChIKeyZFKOEKBOTNCVPI-UHFFFAOYSA-N
MW329.17 g/mol
LogP2.69
Rot. Bonds1

About 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-5-iodo-1,2,4-thiadiazole

3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-5-iodo-1,2,4-thiadiazole (PubChem CID 130591033) has the molecular formula C10H8IN3S and a molecular weight of 329.17 g/mol. Its IUPAC name is 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-5-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-5-iodo-1,2,4-thiadiazole
PubChem CID130591033
Molecular FormulaC10H8IN3S
Molecular Weight329.17 g/mol
Exact Mass328.95
IUPAC Name3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-5-iodo-1,2,4-thiadiazole
SMILESIc1nc(-c2ccc3c(n2)CCC3)ns1
InChIInChI=1S/C10H8IN3S/c11-10-13-9(14-15-10)8-5-4-6-2-1-3-7(6)12-8/h4-5H,1-3H2
InChIKeyZFKOEKBOTNCVPI-UHFFFAOYSA-N
XLogP2.69
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 52.69
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 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-5-iodo-1,2,4-thiadiazole?
The IUPAC name of 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-5-iodo-1,2,4-thiadiazole (CID 130591033) is 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-5-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-5-iodo-1,2,4-thiadiazole?
The canonical SMILES for 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-5-iodo-1,2,4-thiadiazole is Ic1nc(-c2ccc3c(n2)CCC3)ns1.
What is the InChIKey of 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-5-iodo-1,2,4-thiadiazole?
The InChIKey is ZFKOEKBOTNCVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8IN3S/c11-10-13-9(14-15-10)8-5-4-6-2-1-3-7(6)12-8/h4-5H,1-3H2.
What are the key properties of 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-5-iodo-1,2,4-thiadiazole?
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-5-iodo-1,2,4-thiadiazole has a molecular weight of 329.17 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-5-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 130591033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).