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

C8H12N2O2S2 — CID 150380361

IUPAC3-(methoxymethylsulfanyl)-5-(oxolan-3-yl)-1,2,4-thiadiazole
SMILESCOCSc1nsc(C2CCOC2)n1
InChIInChI=1S/C8H12N2O2S2/c1-11-5-13-8-9-7(14-10-8)6-2-3-12-4-6/h6H,2-5H2,1H3
InChIKeyGZPIOTMMRZAYFZ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.74
Rot. Bonds4

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

3-(methoxymethylsulfanyl)-5-(oxolan-3-yl)-1,2,4-thiadiazole (PubChem CID 150380361) has the molecular formula C8H12N2O2S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(methoxymethylsulfanyl)-5-(oxolan-3-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(methoxymethylsulfanyl)-5-(oxolan-3-yl)-1,2,4-thiadiazole
PubChem CID150380361
Molecular FormulaC8H12N2O2S2
Molecular Weight232.33 g/mol
Exact Mass232.03
IUPAC Name3-(methoxymethylsulfanyl)-5-(oxolan-3-yl)-1,2,4-thiadiazole
SMILESCOCSc1nsc(C2CCOC2)n1
InChIInChI=1S/C8H12N2O2S2/c1-11-5-13-8-9-7(14-10-8)6-2-3-12-4-6/h6H,2-5H2,1H3
InChIKeyGZPIOTMMRZAYFZ-UHFFFAOYSA-N
XLogP1.74
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(Oxolan-3-yl)-5-propan-2-yl-1,2,4-thiadiazole
CID 155227232
5-(Oxolan-3-yl)-1,2,4-thiadiazol-3-amine
CID 64536795
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 3-(methoxymethylsulfanyl)-5-(oxolan-3-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-(methoxymethylsulfanyl)-5-(oxolan-3-yl)-1,2,4-thiadiazole (CID 150380361) is 3-(methoxymethylsulfanyl)-5-(oxolan-3-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-(methoxymethylsulfanyl)-5-(oxolan-3-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-(methoxymethylsulfanyl)-5-(oxolan-3-yl)-1,2,4-thiadiazole is COCSc1nsc(C2CCOC2)n1.
What is the InChIKey of 3-(methoxymethylsulfanyl)-5-(oxolan-3-yl)-1,2,4-thiadiazole?
The InChIKey is GZPIOTMMRZAYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S2/c1-11-5-13-8-9-7(14-10-8)6-2-3-12-4-6/h6H,2-5H2,1H3.
What are the key properties of 3-(methoxymethylsulfanyl)-5-(oxolan-3-yl)-1,2,4-thiadiazole?
3-(methoxymethylsulfanyl)-5-(oxolan-3-yl)-1,2,4-thiadiazole has a molecular weight of 232.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethylsulfanyl)-5-(oxolan-3-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 150380361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).