N-[5-(2-methoxyethoxysulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide

C7H12N4O5S2 — CID 110417348

IUPACN-[5-(2-methoxyethoxysulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCCONS(=O)(=O)c1nnc(NC(C)=O)s1
InChIInChI=1S/C7H12N4O5S2/c1-5(12)8-6-9-10-7(17-6)18(13,14)11-16-4-3-15-2/h11H,3-4H2,1-2H3,(H,8,9,12)
InChIKeyPQGMQHIIGVGQSS-UHFFFAOYSA-N
MW296.33 g/mol
LogP-0.65
Rot. Bonds7

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

N-[5-(2-methoxyethoxysulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 110417348) has the molecular formula C7H12N4O5S2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[5-(2-methoxyethoxysulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-methoxyethoxysulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID110417348
Molecular FormulaC7H12N4O5S2
Molecular Weight296.33 g/mol
Exact Mass296.02
IUPAC NameN-[5-(2-methoxyethoxysulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCCONS(=O)(=O)c1nnc(NC(C)=O)s1
InChIInChI=1S/C7H12N4O5S2/c1-5(12)8-6-9-10-7(17-6)18(13,14)11-16-4-3-15-2/h11H,3-4H2,1-2H3,(H,8,9,12)
InChIKeyPQGMQHIIGVGQSS-UHFFFAOYSA-N
XLogP-0.65
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[5-(2-methoxyethoxysulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 113383289
(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide
CID 24906315
N-[5-[(1-chloro-2-methylpropan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 113383322
N-[5-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 107155397
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-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 107866792
N-[5-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 100755260
N-[5-[(2,6-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110300325
N-[5-[1-(2-methoxyphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 133162457
N-[5-(thiophen-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110779516
(2S)-2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]hexanoic acid
CID 107145053

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyethoxysulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-(2-methoxyethoxysulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 110417348) is N-[5-(2-methoxyethoxysulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(2-methoxyethoxysulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(2-methoxyethoxysulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide is COCCONS(=O)(=O)c1nnc(NC(C)=O)s1.
What is the InChIKey of N-[5-(2-methoxyethoxysulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is PQGMQHIIGVGQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O5S2/c1-5(12)8-6-9-10-7(17-6)18(13,14)11-16-4-3-15-2/h11H,3-4H2,1-2H3,(H,8,9,12).
What are the key properties of N-[5-(2-methoxyethoxysulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-(2-methoxyethoxysulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 296.33 g/mol, XLogP of -0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyethoxysulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 110417348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).