N-[5-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

C9H16N4O4S3 — CID 106157438

IUPACN-[5-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCSC(CO)C(C)NS(=O)(=O)c1nnc(NC(C)=O)s1
InChIInChI=1S/C9H16N4O4S3/c1-5(7(4-14)18-3)13-20(16,17)9-12-11-8(19-9)10-6(2)15/h5,7,13-14H,4H2,1-3H3,(H,10,11,15)
InChIKeyDPRBGWVIZTWSFD-UHFFFAOYSA-N
MW340.45 g/mol
LogP-0.11
Rot. Bonds7

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

N-[5-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 106157438) has the molecular formula C9H16N4O4S3 and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[5-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID106157438
Molecular FormulaC9H16N4O4S3
Molecular Weight340.45 g/mol
Exact Mass340.03
IUPAC NameN-[5-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCSC(CO)C(C)NS(=O)(=O)c1nnc(NC(C)=O)s1
InChIInChI=1S/C9H16N4O4S3/c1-5(7(4-14)18-3)13-20(16,17)9-12-11-8(19-9)10-6(2)15/h5,7,13-14H,4H2,1-3H3,(H,10,11,15)
InChIKeyDPRBGWVIZTWSFD-UHFFFAOYSA-N
XLogP-0.11
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
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-[[(1S)-1-phenylethyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 133187007
(2S)-2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]hexanoic acid
CID 107145053
N-[5-[1-(2-methoxyphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 133162457
N-[5-(hex-5-yn-3-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 113477608
3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 113383289
N-[5-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 107155397
N-[5-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 100755260
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-[[(1R)-1-(2-methylphenyl)propyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 100514128
N-[5-(2-methoxyethoxysulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110417348
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 N-[5-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 106157438) is N-[5-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is CSC(CO)C(C)NS(=O)(=O)c1nnc(NC(C)=O)s1.
What is the InChIKey of N-[5-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is DPRBGWVIZTWSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O4S3/c1-5(7(4-14)18-3)13-20(16,17)9-12-11-8(19-9)10-6(2)15/h5,7,13-14H,4H2,1-3H3,(H,10,11,15).
What are the key properties of N-[5-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 340.45 g/mol, XLogP of -0.11, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 106157438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).