N-[5-(hex-5-yn-3-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide

C10H14N4O3S2 — CID 113477608

IUPACN-[5-(hex-5-yn-3-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESC#CCC(CC)NS(=O)(=O)c1nnc(NC(C)=O)s1
InChIInChI=1S/C10H14N4O3S2/c1-4-6-8(5-2)14-19(16,17)10-13-12-9(18-10)11-7(3)15/h1,8,14H,5-6H2,2-3H3,(H,11,12,15)
InChIKeyRAFKBPLGSOAOBD-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.58
Rot. Bonds6

About N-[5-(hex-5-yn-3-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide

N-[5-(hex-5-yn-3-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 113477608) has the molecular formula C10H14N4O3S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[5-(hex-5-yn-3-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(hex-5-yn-3-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID113477608
Molecular FormulaC10H14N4O3S2
Molecular Weight302.38 g/mol
Exact Mass302.05
IUPAC NameN-[5-(hex-5-yn-3-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESC#CCC(CC)NS(=O)(=O)c1nnc(NC(C)=O)s1
InChIInChI=1S/C10H14N4O3S2/c1-4-6-8(5-2)14-19(16,17)10-13-12-9(18-10)11-7(3)15/h1,8,14H,5-6H2,2-3H3,(H,11,12,15)
InChIKeyRAFKBPLGSOAOBD-UHFFFAOYSA-N
XLogP0.58
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]hexanoic acid
CID 107145053
N-[5-[[(1R)-1-(2-methylphenyl)propyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 100514128
N-hex-5-yn-3-yl-5-methylthiophene-2-sulfonamide
CID 115650486
N-[5-[[(1S)-1-phenylethyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 133187007
N-[5-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 106157438
3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 113383289
4-acetyl-N-hex-5-yn-3-ylbenzenesulfonamide
CID 115650461
2-methyl-N-[5-[1-(4-methylphenyl)propylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 133163056
N-[5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 107866792
(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide
CID 24906315
N-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 106364604
N-[5-(butan-2-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide
CID 133201796

Frequently Asked Questions

What is the IUPAC name of N-[5-(hex-5-yn-3-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-(hex-5-yn-3-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 113477608) is N-[5-(hex-5-yn-3-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(hex-5-yn-3-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(hex-5-yn-3-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide is C#CCC(CC)NS(=O)(=O)c1nnc(NC(C)=O)s1.
What is the InChIKey of N-[5-(hex-5-yn-3-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is RAFKBPLGSOAOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S2/c1-4-6-8(5-2)14-19(16,17)10-13-12-9(18-10)11-7(3)15/h1,8,14H,5-6H2,2-3H3,(H,11,12,15).
What are the key properties of N-[5-(hex-5-yn-3-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-(hex-5-yn-3-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 302.38 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hex-5-yn-3-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 113477608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).