3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide

C6H8N2O4S3 — CID 155021993

IUPAC3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide
SMILESO=S1C=CN(S(=O)(=O)N2C=CS(=O)C2)C1
InChIInChI=1S/C6H8N2O4S3/c9-13-3-1-7(5-13)15(11,12)8-2-4-14(10)6-8/h1-4H,5-6H2
InChIKeyFJEGZDCFHMAWLE-UHFFFAOYSA-N
MW268.34 g/mol
LogP-0.78
Rot. Bonds2

About 3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide

3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide (PubChem CID 155021993) has the molecular formula C6H8N2O4S3 and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide.

Molecular Properties

Compound Name3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide
PubChem CID155021993
Molecular FormulaC6H8N2O4S3
Molecular Weight268.34 g/mol
Exact Mass267.96
IUPAC Name3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide
SMILESO=S1C=CN(S(=O)(=O)N2C=CS(=O)C2)C1
InChIInChI=1S/C6H8N2O4S3/c9-13-3-1-7(5-13)15(11,12)8-2-4-14(10)6-8/h1-4H,5-6H2
InChIKeyFJEGZDCFHMAWLE-UHFFFAOYSA-N
XLogP-0.78
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 5-0.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide?
The IUPAC name of 3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide (CID 155021993) is 3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide.
What is the SMILES notation for 3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide?
The canonical SMILES for 3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide is O=S1C=CN(S(=O)(=O)N2C=CS(=O)C2)C1.
What is the InChIKey of 3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide?
The InChIKey is FJEGZDCFHMAWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4S3/c9-13-3-1-7(5-13)15(11,12)8-2-4-14(10)6-8/h1-4H,5-6H2.
What are the key properties of 3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide?
3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide has a molecular weight of 268.34 g/mol, XLogP of -0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-oxo-2H-1,3-thiazol-3-yl)sulfonyl]-2H-1,3-thiazole 1-oxide is sourced from PubChem (CID 155021993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).