2-methyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazole

C6H8N2OS2 — CID 130621818

IUPAC2-methyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazole
SMILESCc1nnc(SC2COC2)s1
InChIInChI=1S/C6H8N2OS2/c1-4-7-8-6(10-4)11-5-2-9-3-5/h5H,2-3H2,1H3
InChIKeyGCZKLKZKRBTTAK-UHFFFAOYSA-N
MW188.28 g/mol
LogP1.34
Rot. Bonds2

About 2-methyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazole

2-methyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazole (PubChem CID 130621818) has the molecular formula C6H8N2OS2 and a molecular weight of 188.28 g/mol. Its IUPAC name is 2-methyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazole
PubChem CID130621818
Molecular FormulaC6H8N2OS2
Molecular Weight188.28 g/mol
Exact Mass188.01
IUPAC Name2-methyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazole
SMILESCc1nnc(SC2COC2)s1
InChIInChI=1S/C6H8N2OS2/c1-4-7-8-6(10-4)11-5-2-9-3-5/h5H,2-3H2,1H3
InChIKeyGCZKLKZKRBTTAK-UHFFFAOYSA-N
XLogP1.34
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazole (CID 130621818) is 2-methyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazole is Cc1nnc(SC2COC2)s1.
What is the InChIKey of 2-methyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazole?
The InChIKey is GCZKLKZKRBTTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS2/c1-4-7-8-6(10-4)11-5-2-9-3-5/h5H,2-3H2,1H3.
What are the key properties of 2-methyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazole?
2-methyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazole has a molecular weight of 188.28 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazole is sourced from PubChem (CID 130621818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).