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

C5H8N4O3S2 — CID 4100

IUPACN-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide
SMILESCC(=O)/N=c1\sc(S(N)(=O)=O)nn1C
InChIInChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4-
InChIKeyFLOSMHQXBMRNHR-DAXSKMNVSA-N
MW236.28 g/mol
LogP-1.42
Rot. Bonds1

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

N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide (PubChem CID 4100) has the molecular formula C5H8N4O3S2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide.

Molecular Properties

Compound NameN-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide
PubChem CID4100
Molecular FormulaC5H8N4O3S2
Molecular Weight236.28 g/mol
Exact Mass236.00
IUPAC NameN-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide
SMILESCC(=O)/N=c1\sc(S(N)(=O)=O)nn1C
InChIInChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4-
InChIKeyFLOSMHQXBMRNHR-DAXSKMNVSA-N
XLogP-1.42
TPSA107.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-1.42
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?
The IUPAC name of N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide (CID 4100) is N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide.
What is the SMILES notation for N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide?
The canonical SMILES for N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide is CC(=O)/N=c1\sc(S(N)(=O)=O)nn1C.
What is the InChIKey of N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide?
The InChIKey is FLOSMHQXBMRNHR-DAXSKMNVSA-N. The full InChI is InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4-.
What are the key properties of N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide?
N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide has a molecular weight of 236.28 g/mol, XLogP of -1.42, 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 is sourced from PubChem (CID 4100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).