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

C7H9IN2OS — CID 102943741

IUPAC3-iodo-5-(5-methyloxolan-3-yl)-1,2,4-thiadiazole
SMILESCC1CC(c2nc(I)ns2)CO1
InChIInChI=1S/C7H9IN2OS/c1-4-2-5(3-11-4)6-9-7(8)10-12-6/h4-5H,2-3H2,1H3
InChIKeyHKVCHXLXOCMELL-UHFFFAOYSA-N
MW296.13 g/mol
LogP2.04
Rot. Bonds1

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

3-iodo-5-(5-methyloxolan-3-yl)-1,2,4-thiadiazole (PubChem CID 102943741) has the molecular formula C7H9IN2OS and a molecular weight of 296.13 g/mol. Its IUPAC name is 3-iodo-5-(5-methyloxolan-3-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-iodo-5-(5-methyloxolan-3-yl)-1,2,4-thiadiazole
PubChem CID102943741
Molecular FormulaC7H9IN2OS
Molecular Weight296.13 g/mol
Exact Mass295.95
IUPAC Name3-iodo-5-(5-methyloxolan-3-yl)-1,2,4-thiadiazole
SMILESCC1CC(c2nc(I)ns2)CO1
InChIInChI=1S/C7H9IN2OS/c1-4-2-5(3-11-4)6-9-7(8)10-12-6/h4-5H,2-3H2,1H3
InChIKeyHKVCHXLXOCMELL-UHFFFAOYSA-N
XLogP2.04
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 52.04
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-(Oxolan-3-yl)-1,2,4-thiadiazol-3-amine
CID 64536795
5-(2,4,5-Trimethyloxolan-3-yl)-1,2,4-thiadiazol-3-amine
CID 65159399
5-(2-Methyloxolan-3-yl)-1,2,4-thiadiazol-3-amine
CID 79763828
3-Bromo-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazole
CID 102943340
3-Bromo-5-(2-methyloxolan-3-yl)-1,2,4-thiadiazole
CID 102943358
3-Bromo-5-(5-methyloxolan-3-yl)-1,2,4-thiadiazole
CID 102943407
3-Iodo-5-[2-(oxolan-2-yl)ethyl]-1,2,4-thiadiazole
CID 102943532
3-Iodo-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole
CID 102943536
3-Iodo-5-(2-methyloxolan-2-yl)-1,2,4-thiadiazole
CID 102943660
3-Iodo-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazole
CID 102943671
3-Iodo-5-(oxolan-2-ylmethyl)-1,2,4-thiadiazole
CID 102943689
3-Iodo-5-(2-methyloxolan-3-yl)-1,2,4-thiadiazole
CID 102943691

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-(5-methyloxolan-3-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-iodo-5-(5-methyloxolan-3-yl)-1,2,4-thiadiazole (CID 102943741) is 3-iodo-5-(5-methyloxolan-3-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-iodo-5-(5-methyloxolan-3-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-iodo-5-(5-methyloxolan-3-yl)-1,2,4-thiadiazole is CC1CC(c2nc(I)ns2)CO1.
What is the InChIKey of 3-iodo-5-(5-methyloxolan-3-yl)-1,2,4-thiadiazole?
The InChIKey is HKVCHXLXOCMELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2OS/c1-4-2-5(3-11-4)6-9-7(8)10-12-6/h4-5H,2-3H2,1H3.
What are the key properties of 3-iodo-5-(5-methyloxolan-3-yl)-1,2,4-thiadiazole?
3-iodo-5-(5-methyloxolan-3-yl)-1,2,4-thiadiazole has a molecular weight of 296.13 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-(5-methyloxolan-3-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).