5-[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione

C7H7N3O3S3 — CID 82423410

IUPAC5-[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
SMILESCS(=O)(=O)Cc1ncc(-c2n[nH]c(=S)o2)s1
InChIInChI=1S/C7H7N3O3S3/c1-16(11,12)3-5-8-2-4(15-5)6-9-10-7(14)13-6/h2H,3H2,1H3,(H,10,14)
InChIKeyUEPXGLUZWHWQFR-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.40
Rot. Bonds3

About 5-[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione

5-[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione (PubChem CID 82423410) has the molecular formula C7H7N3O3S3 and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
PubChem CID82423410
Molecular FormulaC7H7N3O3S3
Molecular Weight277.35 g/mol
Exact Mass276.96
IUPAC Name5-[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
SMILESCS(=O)(=O)Cc1ncc(-c2n[nH]c(=S)o2)s1
InChIInChI=1S/C7H7N3O3S3/c1-16(11,12)3-5-8-2-4(15-5)6-9-10-7(14)13-6/h2H,3H2,1H3,(H,10,14)
InChIKeyUEPXGLUZWHWQFR-UHFFFAOYSA-N
XLogP1.40
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione (CID 82423410) is 5-[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione is CS(=O)(=O)Cc1ncc(-c2n[nH]c(=S)o2)s1.
What is the InChIKey of 5-[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is UEPXGLUZWHWQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3S3/c1-16(11,12)3-5-8-2-4(15-5)6-9-10-7(14)13-6/h2H,3H2,1H3,(H,10,14).
What are the key properties of 5-[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
5-[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 277.35 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 82423410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).