3-iodo-5-(oxolan-2-yl)-1,2,4-thiadiazole

C6H7IN2OS — CID 102943642

IUPAC3-iodo-5-(oxolan-2-yl)-1,2,4-thiadiazole
SMILESIc1nsc(C2CCCO2)n1
InChIInChI=1S/C6H7IN2OS/c7-6-8-5(11-9-6)4-2-1-3-10-4/h4H,1-3H2
InChIKeyDQFORMXIXPLIII-UHFFFAOYSA-N
MW282.11 g/mol
LogP1.99
Rot. Bonds1

About 3-iodo-5-(oxolan-2-yl)-1,2,4-thiadiazole

3-iodo-5-(oxolan-2-yl)-1,2,4-thiadiazole (PubChem CID 102943642) has the molecular formula C6H7IN2OS and a molecular weight of 282.11 g/mol. Its IUPAC name is 3-iodo-5-(oxolan-2-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-iodo-5-(oxolan-2-yl)-1,2,4-thiadiazole
PubChem CID102943642
Molecular FormulaC6H7IN2OS
Molecular Weight282.11 g/mol
Exact Mass281.93
IUPAC Name3-iodo-5-(oxolan-2-yl)-1,2,4-thiadiazole
SMILESIc1nsc(C2CCCO2)n1
InChIInChI=1S/C6H7IN2OS/c7-6-8-5(11-9-6)4-2-1-3-10-4/h4H,1-3H2
InChIKeyDQFORMXIXPLIII-UHFFFAOYSA-N
XLogP1.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.11
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(Oxolan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65331347
5-(Oxolan-2-yl)-1,2,4-thiadiazol-3-amine
CID 64544463
5-Chloro-3-(oxolan-2-yl)-1,2,4-thiadiazole
CID 65330539
5-(2-Methyloxolan-2-yl)-1,2,4-thiadiazol-3-amine
CID 80173192
5-(5-Methyloxolan-2-yl)-1,2,4-thiadiazol-3-amine
CID 81327546
5-(3-Methyloxolan-2-yl)-1,2,4-thiadiazol-3-amine
CID 81576418
3-(5-Methyloxolan-2-yl)-1,2,4-thiadiazol-5-amine
CID 82837286
5-Bromo-3-tetrahydrofuran-2-yl-1,2,4-thiadiazole
CID 102618027
5-Iodo-3-(oxolan-2-yl)-1,2,4-thiadiazole
CID 102618491
3-Bromo-5-(5-methyloxolan-2-yl)-1,2,4-thiadiazole
CID 102943207
3-Bromo-5-(oxolan-2-yl)-1,2,4-thiadiazole
CID 102943312
3-Bromo-5-(3-methyloxolan-2-yl)-1,2,4-thiadiazole
CID 102943444

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-(oxolan-2-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-iodo-5-(oxolan-2-yl)-1,2,4-thiadiazole (CID 102943642) is 3-iodo-5-(oxolan-2-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-iodo-5-(oxolan-2-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-iodo-5-(oxolan-2-yl)-1,2,4-thiadiazole is Ic1nsc(C2CCCO2)n1.
What is the InChIKey of 3-iodo-5-(oxolan-2-yl)-1,2,4-thiadiazole?
The InChIKey is DQFORMXIXPLIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2OS/c7-6-8-5(11-9-6)4-2-1-3-10-4/h4H,1-3H2.
What are the key properties of 3-iodo-5-(oxolan-2-yl)-1,2,4-thiadiazole?
3-iodo-5-(oxolan-2-yl)-1,2,4-thiadiazole has a molecular weight of 282.11 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-(oxolan-2-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).