3-methyl-5-[[(2R)-oxiran-2-yl]methylsulfanyl]-1,2,4-thiadiazole

C6H8N2OS2 — CID 130493379

IUPAC3-methyl-5-[[(2R)-oxiran-2-yl]methylsulfanyl]-1,2,4-thiadiazole
SMILESCc1nsc(SC[C@H]2CO2)n1
InChIInChI=1S/C6H8N2OS2/c1-4-7-6(11-8-4)10-3-5-2-9-5/h5H,2-3H2,1H3/t5-/m1/s1
InChIKeyTUWFFAKBHAYLIF-RXMQYKEDSA-N
MW188.28 g/mol
LogP1.34
Rot. Bonds3

About 3-methyl-5-[[(2R)-oxiran-2-yl]methylsulfanyl]-1,2,4-thiadiazole

3-methyl-5-[[(2R)-oxiran-2-yl]methylsulfanyl]-1,2,4-thiadiazole (PubChem CID 130493379) has the molecular formula C6H8N2OS2 and a molecular weight of 188.28 g/mol. Its IUPAC name is 3-methyl-5-[[(2R)-oxiran-2-yl]methylsulfanyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-[[(2R)-oxiran-2-yl]methylsulfanyl]-1,2,4-thiadiazole
PubChem CID130493379
Molecular FormulaC6H8N2OS2
Molecular Weight188.28 g/mol
Exact Mass188.01
IUPAC Name3-methyl-5-[[(2R)-oxiran-2-yl]methylsulfanyl]-1,2,4-thiadiazole
SMILESCc1nsc(SC[C@H]2CO2)n1
InChIInChI=1S/C6H8N2OS2/c1-4-7-6(11-8-4)10-3-5-2-9-5/h5H,2-3H2,1H3/t5-/m1/s1
InChIKeyTUWFFAKBHAYLIF-RXMQYKEDSA-N
XLogP1.34
TPSA38.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.28
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[(2R)-oxiran-2-yl]methylsulfanyl]-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-[[(2R)-oxiran-2-yl]methylsulfanyl]-1,2,4-thiadiazole (CID 130493379) is 3-methyl-5-[[(2R)-oxiran-2-yl]methylsulfanyl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-[[(2R)-oxiran-2-yl]methylsulfanyl]-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-[[(2R)-oxiran-2-yl]methylsulfanyl]-1,2,4-thiadiazole is Cc1nsc(SC[C@H]2CO2)n1.
What is the InChIKey of 3-methyl-5-[[(2R)-oxiran-2-yl]methylsulfanyl]-1,2,4-thiadiazole?
The InChIKey is TUWFFAKBHAYLIF-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H8N2OS2/c1-4-7-6(11-8-4)10-3-5-2-9-5/h5H,2-3H2,1H3/t5-/m1/s1.
What are the key properties of 3-methyl-5-[[(2R)-oxiran-2-yl]methylsulfanyl]-1,2,4-thiadiazole?
3-methyl-5-[[(2R)-oxiran-2-yl]methylsulfanyl]-1,2,4-thiadiazole has a molecular weight of 188.28 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[(2R)-oxiran-2-yl]methylsulfanyl]-1,2,4-thiadiazole is sourced from PubChem (CID 130493379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).