3-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-1,3-oxazolidin-2-one

C7H7N3O3S2 — CID 8881349

IUPAC3-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-1,3-oxazolidin-2-one
SMILESO=C(CSc1nncs1)N1CCOC1=O
InChIInChI=1S/C7H7N3O3S2/c11-5(10-1-2-13-7(10)12)3-14-6-9-8-4-15-6/h4H,1-3H2
InChIKeyGDPUVUHGLONWBK-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.61
Rot. Bonds3

About 3-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-1,3-oxazolidin-2-one

3-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-1,3-oxazolidin-2-one (PubChem CID 8881349) has the molecular formula C7H7N3O3S2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-1,3-oxazolidin-2-one
PubChem CID8881349
Molecular FormulaC7H7N3O3S2
Molecular Weight245.28 g/mol
Exact Mass244.99
IUPAC Name3-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-1,3-oxazolidin-2-one
SMILESO=C(CSc1nncs1)N1CCOC1=O
InChIInChI=1S/C7H7N3O3S2/c11-5(10-1-2-13-7(10)12)3-14-6-9-8-4-15-6/h4H,1-3H2
InChIKeyGDPUVUHGLONWBK-UHFFFAOYSA-N
XLogP0.61
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]imidazolidin-2-one
CID 17390563
3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one
CID 9378533
1-[(2R)-2-ethylmorpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 52672736
4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylthiophene-2-carboxylic acid
CID 79149423
1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 51088034
(2R)-4-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 41488091
4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbenzoic acid
CID 43352407
4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpyridine-2-carboxylic acid
CID 79554540
1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 60507668
3-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]-1,3-oxazolidin-2-one
CID 66150041
3-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-oxazolidin-2-one
CID 8879477
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 46607587

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-1,3-oxazolidin-2-one (CID 8881349) is 3-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-1,3-oxazolidin-2-one is O=C(CSc1nncs1)N1CCOC1=O.
What is the InChIKey of 3-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-1,3-oxazolidin-2-one?
The InChIKey is GDPUVUHGLONWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3S2/c11-5(10-1-2-13-7(10)12)3-14-6-9-8-4-15-6/h4H,1-3H2.
What are the key properties of 3-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-1,3-oxazolidin-2-one?
3-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-1,3-oxazolidin-2-one has a molecular weight of 245.28 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 8881349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).