3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-2-hydroxypropanoic acid

C7H10N4O6S2 — CID 113383289

IUPAC3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-2-hydroxypropanoic acid
SMILESCC(=O)Nc1nnc(S(=O)(=O)NCC(O)C(=O)O)s1
InChIInChI=1S/C7H10N4O6S2/c1-3(12)9-6-10-11-7(18-6)19(16,17)8-2-4(13)5(14)15/h4,8,13H,2H2,1H3,(H,14,15)(H,9,10,12)
InChIKeyUIQKXNSXTIAVJX-UHFFFAOYSA-N
MW310.31 g/mol
LogP-1.78
Rot. Bonds6

About 3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-2-hydroxypropanoic acid

3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-2-hydroxypropanoic acid (PubChem CID 113383289) has the molecular formula C7H10N4O6S2 and a molecular weight of 310.31 g/mol. Its IUPAC name is 3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-2-hydroxypropanoic acid
PubChem CID113383289
Molecular FormulaC7H10N4O6S2
Molecular Weight310.31 g/mol
Exact Mass310.00
IUPAC Name3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-2-hydroxypropanoic acid
SMILESCC(=O)Nc1nnc(S(=O)(=O)NCC(O)C(=O)O)s1
InChIInChI=1S/C7H10N4O6S2/c1-3(12)9-6-10-11-7(18-6)19(16,17)8-2-4(13)5(14)15/h4,8,13H,2H2,1H3,(H,14,15)(H,9,10,12)
InChIKeyUIQKXNSXTIAVJX-UHFFFAOYSA-N
XLogP-1.78
TPSA158.58 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 5-1.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 107155397
(2S)-2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]hexanoic acid
CID 107145053
N-[5-(2-methoxyethoxysulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110417348
N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100566485
N-[5-(1,3-thiazol-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110738901
N-[5-(thiophen-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110779516
N-[5-[(5-methyl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110739067
(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide
CID 24906315
N-[5-[[(1S)-1-phenylethyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 133187007
N-[5-[(5-amino-2,2-dimethylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 106141866
N-[5-[(3,4-dimethylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110779637
N-[5-[(1-chloro-2-methylpropan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 113383322

Frequently Asked Questions

What is the IUPAC name of 3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-2-hydroxypropanoic acid (CID 113383289) is 3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-2-hydroxypropanoic acid is CC(=O)Nc1nnc(S(=O)(=O)NCC(O)C(=O)O)s1.
What is the InChIKey of 3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-2-hydroxypropanoic acid?
The InChIKey is UIQKXNSXTIAVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O6S2/c1-3(12)9-6-10-11-7(18-6)19(16,17)8-2-4(13)5(14)15/h4,8,13H,2H2,1H3,(H,14,15)(H,9,10,12).
What are the key properties of 3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-2-hydroxypropanoic acid?
3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-2-hydroxypropanoic acid has a molecular weight of 310.31 g/mol, XLogP of -1.78, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-2-hydroxypropanoic acid is sourced from PubChem (CID 113383289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).