5-methylsulfonyl-2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole

C5H5N5O2S3 — CID 18708936

IUPAC5-methylsulfonyl-2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole
SMILESCS(=O)(=O)c1cnc(Sc2nn[nH]n2)s1
InChIInChI=1S/C5H5N5O2S3/c1-15(11,12)3-2-6-5(13-3)14-4-7-9-10-8-4/h2H,1H3,(H,7,8,9,10)
InChIKeyUUPOGYSCXGAMKF-UHFFFAOYSA-N
MW263.33 g/mol
LogP0.21
Rot. Bonds3

About 5-methylsulfonyl-2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole

5-methylsulfonyl-2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole (PubChem CID 18708936) has the molecular formula C5H5N5O2S3 and a molecular weight of 263.33 g/mol. Its IUPAC name is 5-methylsulfonyl-2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole.

Molecular Properties

Compound Name5-methylsulfonyl-2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole
PubChem CID18708936
Molecular FormulaC5H5N5O2S3
Molecular Weight263.33 g/mol
Exact Mass262.96
IUPAC Name5-methylsulfonyl-2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole
SMILESCS(=O)(=O)c1cnc(Sc2nn[nH]n2)s1
InChIInChI=1S/C5H5N5O2S3/c1-15(11,12)3-2-6-5(13-3)14-4-7-9-10-8-4/h2H,1H3,(H,7,8,9,10)
InChIKeyUUPOGYSCXGAMKF-UHFFFAOYSA-N
XLogP0.21
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

Analyze 5-methylsulfonyl-2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole 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-methylsulfonyl-2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole?
The IUPAC name of 5-methylsulfonyl-2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole (CID 18708936) is 5-methylsulfonyl-2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole.
What is the SMILES notation for 5-methylsulfonyl-2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole?
The canonical SMILES for 5-methylsulfonyl-2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole is CS(=O)(=O)c1cnc(Sc2nn[nH]n2)s1.
What is the InChIKey of 5-methylsulfonyl-2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole?
The InChIKey is UUPOGYSCXGAMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O2S3/c1-15(11,12)3-2-6-5(13-3)14-4-7-9-10-8-4/h2H,1H3,(H,7,8,9,10).
What are the key properties of 5-methylsulfonyl-2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole?
5-methylsulfonyl-2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole has a molecular weight of 263.33 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole is sourced from PubChem (CID 18708936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).