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

C6H7IN2OS — CID 102618612

IUPAC5-iodo-3-(oxolan-3-yl)-1,2,4-thiadiazole
SMILESIc1nc(C2CCOC2)ns1
InChIInChI=1S/C6H7IN2OS/c7-6-8-5(9-11-6)4-1-2-10-3-4/h4H,1-3H2
InChIKeyRBLJAYTVYBTQIR-UHFFFAOYSA-N
MW282.11 g/mol
LogP1.65
Rot. Bonds1

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

5-iodo-3-(oxolan-3-yl)-1,2,4-thiadiazole (PubChem CID 102618612) has the molecular formula C6H7IN2OS and a molecular weight of 282.11 g/mol. Its IUPAC name is 5-iodo-3-(oxolan-3-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-iodo-3-(oxolan-3-yl)-1,2,4-thiadiazole
PubChem CID102618612
Molecular FormulaC6H7IN2OS
Molecular Weight282.11 g/mol
Exact Mass281.93
IUPAC Name5-iodo-3-(oxolan-3-yl)-1,2,4-thiadiazole
SMILESIc1nc(C2CCOC2)ns1
InChIInChI=1S/C6H7IN2OS/c7-6-8-5(9-11-6)4-1-2-10-3-4/h4H,1-3H2
InChIKeyRBLJAYTVYBTQIR-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
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

5-Chloro-3-(oxolan-3-yl)-1,2,4-thiadiazole
CID 65329082
3-(Oxolan-3-yl)-5-propan-2-yl-1,2,4-thiadiazole
CID 155227232
3-(Oxolan-3-yl)-1,2,4-thiadiazol-5-amine
CID 62313084
5-(Oxolan-3-yl)-1,2,4-thiadiazol-3-amine
CID 64536795
5-Bromo-3-tetrahydrofuran-3-yl-1,2,4-thiadiazole
CID 102618161
5-Iodo-3-(oxan-4-yl)-1,2,4-thiadiazole
CID 102618534
5-Iodo-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazole
CID 102618537
5-Iodo-3-(3-methoxypropyl)-1,2,4-thiadiazole
CID 102618607
3-(2-Ethoxyethyl)-5-iodo-1,2,4-thiadiazole
CID 106815810
3-Bromo-5-(oxolan-3-yl)-1,2,4-thiadiazole
CID 121601578
3-Iodo-5-(oxolan-3-yl)-1,2,4-thiadiazole
CID 121601616
3-Chloro-5-(oxolan-3-yl)-1,2,4-thiadiazole
CID 121601653

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-(oxolan-3-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-iodo-3-(oxolan-3-yl)-1,2,4-thiadiazole (CID 102618612) is 5-iodo-3-(oxolan-3-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-iodo-3-(oxolan-3-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-iodo-3-(oxolan-3-yl)-1,2,4-thiadiazole is Ic1nc(C2CCOC2)ns1.
What is the InChIKey of 5-iodo-3-(oxolan-3-yl)-1,2,4-thiadiazole?
The InChIKey is RBLJAYTVYBTQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2OS/c7-6-8-5(9-11-6)4-1-2-10-3-4/h4H,1-3H2.
What are the key properties of 5-iodo-3-(oxolan-3-yl)-1,2,4-thiadiazole?
5-iodo-3-(oxolan-3-yl)-1,2,4-thiadiazole has a molecular weight of 282.11 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-(oxolan-3-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 102618612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).