5-(dimethylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide

C5H8N4O3S2 — CID 20778422

IUPAC5-(dimethylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCN(C)S(=O)(=O)c1nnc(C(N)=O)s1
InChIInChI=1S/C5H8N4O3S2/c1-9(2)14(11,12)5-8-7-4(13-5)3(6)10/h1-2H3,(H2,6,10)
InChIKeyWLNVHIFOSSCAGZ-UHFFFAOYSA-N
MW236.28 g/mol
LogP-1.11
Rot. Bonds3

About 5-(dimethylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide

5-(dimethylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 20778422) has the molecular formula C5H8N4O3S2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID20778422
Molecular FormulaC5H8N4O3S2
Molecular Weight236.28 g/mol
Exact Mass236.00
IUPAC Name5-(dimethylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCN(C)S(=O)(=O)c1nnc(C(N)=O)s1
InChIInChI=1S/C5H8N4O3S2/c1-9(2)14(11,12)5-8-7-4(13-5)3(6)10/h1-2H3,(H2,6,10)
InChIKeyWLNVHIFOSSCAGZ-UHFFFAOYSA-N
XLogP-1.11
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(dimethylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide (CID 20778422) is 5-(dimethylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide is CN(C)S(=O)(=O)c1nnc(C(N)=O)s1.
What is the InChIKey of 5-(dimethylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is WLNVHIFOSSCAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O3S2/c1-9(2)14(11,12)5-8-7-4(13-5)3(6)10/h1-2H3,(H2,6,10).
What are the key properties of 5-(dimethylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide?
5-(dimethylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 236.28 g/mol, XLogP of -1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 20778422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).