3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one

C8H9N3O3S2 — CID 8881227

IUPAC3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one
SMILESCc1nnc(SCC(=O)N2CCOC2=O)s1
InChIInChI=1S/C8H9N3O3S2/c1-5-9-10-7(16-5)15-4-6(12)11-2-3-14-8(11)13/h2-4H2,1H3
InChIKeyDQEIGSGBRUUAIM-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.92
Rot. Bonds3

About 3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one

3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one (PubChem CID 8881227) has the molecular formula C8H9N3O3S2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one
PubChem CID8881227
Molecular FormulaC8H9N3O3S2
Molecular Weight259.31 g/mol
Exact Mass259.01
IUPAC Name3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one
SMILESCc1nnc(SCC(=O)N2CCOC2=O)s1
InChIInChI=1S/C8H9N3O3S2/c1-5-9-10-7(16-5)15-4-6(12)11-2-3-14-8(11)13/h2-4H2,1H3
InChIKeyDQEIGSGBRUUAIM-UHFFFAOYSA-N
XLogP0.92
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one (CID 8881227) is 3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one is Cc1nnc(SCC(=O)N2CCOC2=O)s1.
What is the InChIKey of 3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one?
The InChIKey is DQEIGSGBRUUAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3S2/c1-5-9-10-7(16-5)15-4-6(12)11-2-3-14-8(11)13/h2-4H2,1H3.
What are the key properties of 3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one?
3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one has a molecular weight of 259.31 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 8881227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).