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

C9H10N4O3S3 — CID 110779516

IUPACN-[5-(thiophen-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NCc2cccs2)s1
InChIInChI=1S/C9H10N4O3S3/c1-6(14)11-8-12-13-9(18-8)19(15,16)10-5-7-3-2-4-17-7/h2-4,10H,5H2,1H3,(H,11,12,14)
InChIKeyWFEDYFYPNRKYSG-UHFFFAOYSA-N
MW318.41 g/mol
LogP1.04
Rot. Bonds5

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

N-[5-(thiophen-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 110779516) has the molecular formula C9H10N4O3S3 and a molecular weight of 318.41 g/mol. Its IUPAC name is N-[5-(thiophen-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(thiophen-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID110779516
Molecular FormulaC9H10N4O3S3
Molecular Weight318.41 g/mol
Exact Mass317.99
IUPAC NameN-[5-(thiophen-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NCc2cccs2)s1
InChIInChI=1S/C9H10N4O3S3/c1-6(14)11-8-12-13-9(18-8)19(15,16)10-5-7-3-2-4-17-7/h2-4,10H,5H2,1H3,(H,11,12,14)
InChIKeyWFEDYFYPNRKYSG-UHFFFAOYSA-N
XLogP1.04
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(1,3-thiazol-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110738901
N-[5-[methyl(thiophen-2-ylmethyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110733668
N-[5-[(3,4-dimethylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110779637
N-[4-methyl-3-(thiophen-2-ylmethylsulfamoyl)phenyl]acetamide
CID 39792806
N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110318005
N-[5-[(2,6-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110300325
3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 113383289
N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100566485
N-[5-[(1,2,5-trimethylpyrrol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110642140
N-[5-[(2-methyl-1H-indol-5-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110427837
N-[5-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 107155397
(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide
CID 24906315

Frequently Asked Questions

What is the IUPAC name of N-[5-(thiophen-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-(thiophen-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 110779516) is N-[5-(thiophen-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(thiophen-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(thiophen-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)NCc2cccs2)s1.
What is the InChIKey of N-[5-(thiophen-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is WFEDYFYPNRKYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3S3/c1-6(14)11-8-12-13-9(18-8)19(15,16)10-5-7-3-2-4-17-7/h2-4,10H,5H2,1H3,(H,11,12,14).
What are the key properties of N-[5-(thiophen-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-(thiophen-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 318.41 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(thiophen-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 110779516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).