N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide;hydrochloride

C5H9ClN4O3S2 — CID 140541911

IUPACN-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide;hydrochloride
SMILESCC(=O)/N=c1\sc(S(N)(=O)=O)nn1C.Cl
InChIInChI=1S/C5H8N4O3S2.ClH/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12;/h1-2H3,(H2,6,11,12);1H/b7-4-;
InChIKeyARNXQERQZPFGOC-ZULQGGHCSA-N
MW272.74 g/mol
LogP-1.00
Rot. Bonds1

About N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide;hydrochloride

N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide;hydrochloride (PubChem CID 140541911) has the molecular formula C5H9ClN4O3S2 and a molecular weight of 272.74 g/mol. Its IUPAC name is N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide;hydrochloride
PubChem CID140541911
Molecular FormulaC5H9ClN4O3S2
Molecular Weight272.74 g/mol
Exact Mass271.98
IUPAC NameN-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide;hydrochloride
SMILESCC(=O)/N=c1\sc(S(N)(=O)=O)nn1C.Cl
InChIInChI=1S/C5H8N4O3S2.ClH/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12;/h1-2H3,(H2,6,11,12);1H/b7-4-;
InChIKeyARNXQERQZPFGOC-ZULQGGHCSA-N
XLogP-1.00
TPSA107.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide;hydrochloride?
The IUPAC name of N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide;hydrochloride (CID 140541911) is N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide;hydrochloride.
What is the SMILES notation for N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide;hydrochloride?
The canonical SMILES for N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide;hydrochloride is CC(=O)/N=c1\sc(S(N)(=O)=O)nn1C.Cl.
What is the InChIKey of N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide;hydrochloride?
The InChIKey is ARNXQERQZPFGOC-ZULQGGHCSA-N. The full InChI is InChI=1S/C5H8N4O3S2.ClH/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12;/h1-2H3,(H2,6,11,12);1H/b7-4-;.
What are the key properties of N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide;hydrochloride?
N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide;hydrochloride has a molecular weight of 272.74 g/mol, XLogP of -1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide;hydrochloride is sourced from PubChem (CID 140541911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).