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Glybuthiazol

C12H16N4O2S2 — CID 10811

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCC(C)(C)c1nnc(NS(=O)(=O)c2ccc(N)cc2)s1
InChIInChI=1S/C12H16N4O2S2/c1-12(2,3)10-14-15-11(19-10)16-20(17,18)9-6-4-8(13)5-7-9/h4-7H,13H2,1-3H3,(H,15,16)
InChIKeyDVQVBLBKEXITIK-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.22
Rot. Bonds3

About Glybuthiazol

Glybuthiazol (PubChem CID 10811) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameGlybuthiazol
PubChem CID10811
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC Name4-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCC(C)(C)c1nnc(NS(=O)(=O)c2ccc(N)cc2)s1
InChIInChI=1S/C12H16N4O2S2/c1-12(2,3)10-14-15-11(19-10)16-20(17,18)9-6-4-8(13)5-7-9/h4-7H,13H2,1-3H3,(H,15,16)
InChIKeyDVQVBLBKEXITIK-UHFFFAOYSA-N
XLogP2.22
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Sulfamethizole
CID 5328
Sulfaethidole
CID 7181
5-(4-Amino-3-iodobenzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide
CID 10874216
5-(4-Amino-3-fluorobenzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide
CID 10937101
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzenesulfonamide
CID 2162129
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzenesulfonamide
CID 2289519
N-[4-(5-Isopropyl-[1,3,4]thiadiazol-2-ylsulfamoyl)-phenyl]-acetamide
CID 750640
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzenesulfonamide
CID 2162125
N-(4-(((5-Ethyl-1,3,4-thiadiazol-2-yl)amino)sulfonyl)phenyl)acetamide
CID 745569

Frequently Asked Questions

What is the IUPAC name of Glybuthiazol?
The IUPAC name of Glybuthiazol (CID 10811) is 4-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for Glybuthiazol?
The canonical SMILES for Glybuthiazol is CC(C)(C)c1nnc(NS(=O)(=O)c2ccc(N)cc2)s1.
What is the InChIKey of Glybuthiazol?
The InChIKey is DVQVBLBKEXITIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-12(2,3)10-14-15-11(19-10)16-20(17,18)9-6-4-8(13)5-7-9/h4-7H,13H2,1-3H3,(H,15,16).
What are the key properties of Glybuthiazol?
Glybuthiazol has a molecular weight of 312.42 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Glybuthiazol is sourced from PubChem (CID 10811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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