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

C7H9IN2OS — CID 130951997

IUPAC5-iodo-3-(5-methyloxolan-2-yl)-1,2,4-thiadiazole
SMILESCC1CCC(c2nsc(I)n2)O1
InChIInChI=1S/C7H9IN2OS/c1-4-2-3-5(11-4)6-9-7(8)12-10-6/h4-5H,2-3H2,1H3
InChIKeyDPMODXHDFWHYCH-UHFFFAOYSA-N
MW296.13 g/mol
LogP2.38
Rot. Bonds1

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

5-iodo-3-(5-methyloxolan-2-yl)-1,2,4-thiadiazole (PubChem CID 130951997) has the molecular formula C7H9IN2OS and a molecular weight of 296.13 g/mol. Its IUPAC name is 5-iodo-3-(5-methyloxolan-2-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-iodo-3-(5-methyloxolan-2-yl)-1,2,4-thiadiazole
PubChem CID130951997
Molecular FormulaC7H9IN2OS
Molecular Weight296.13 g/mol
Exact Mass295.95
IUPAC Name5-iodo-3-(5-methyloxolan-2-yl)-1,2,4-thiadiazole
SMILESCC1CCC(c2nsc(I)n2)O1
InChIInChI=1S/C7H9IN2OS/c1-4-2-3-5(11-4)6-9-7(8)12-10-6/h4-5H,2-3H2,1H3
InChIKeyDPMODXHDFWHYCH-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
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
3-(Oxolan-2-yl)-1,2,4-thiadiazole
CID 141188068
5-(Oxolan-2-yl)-1,2,4-thiadiazol-3-amine
CID 64544463
5-Chloro-3-(oxolan-2-yl)-1,2,4-thiadiazole
CID 65330539
N-methyl-3-(oxolan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65330540
5-Chloro-3-(2-methyloxolan-2-yl)-1,2,4-thiadiazole
CID 80182407
5-(5-Methyloxolan-2-yl)-1,2,4-thiadiazol-3-amine
CID 81327546
3-(5-Methyloxolan-2-yl)-1,2,4-thiadiazol-5-amine
CID 82837286
5-Bromo-3-(2-methyloxolan-2-yl)-1,2,4-thiadiazole
CID 102617920
5-Bromo-3-tetrahydrofuran-2-yl-1,2,4-thiadiazole
CID 102618027
5-Iodo-3-(2-methyloxolan-2-yl)-1,2,4-thiadiazole
CID 102618381
3-(1-Ethoxyethyl)-5-iodo-1,2,4-thiadiazole
CID 102618444

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-(5-methyloxolan-2-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-iodo-3-(5-methyloxolan-2-yl)-1,2,4-thiadiazole (CID 130951997) is 5-iodo-3-(5-methyloxolan-2-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-iodo-3-(5-methyloxolan-2-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-iodo-3-(5-methyloxolan-2-yl)-1,2,4-thiadiazole is CC1CCC(c2nsc(I)n2)O1.
What is the InChIKey of 5-iodo-3-(5-methyloxolan-2-yl)-1,2,4-thiadiazole?
The InChIKey is DPMODXHDFWHYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2OS/c1-4-2-3-5(11-4)6-9-7(8)12-10-6/h4-5H,2-3H2,1H3.
What are the key properties of 5-iodo-3-(5-methyloxolan-2-yl)-1,2,4-thiadiazole?
5-iodo-3-(5-methyloxolan-2-yl)-1,2,4-thiadiazole has a molecular weight of 296.13 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-(5-methyloxolan-2-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 130951997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).