N-[5-(ethylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide

C7H12N4O3S2 — CID 100748256

IUPACN-[5-(ethylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCNS(=O)(=O)c1nnc(NC(=O)CC)s1
InChIInChI=1S/C7H12N4O3S2/c1-3-5(12)9-6-10-11-7(15-6)16(13,14)8-4-2/h8H,3-4H2,1-2H3,(H,9,10,12)
InChIKeyAHGKXKAWYCRZCJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.18
Rot. Bonds5

About N-[5-(ethylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide

N-[5-(ethylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 100748256) has the molecular formula C7H12N4O3S2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[5-(ethylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-(ethylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID100748256
Molecular FormulaC7H12N4O3S2
Molecular Weight264.33 g/mol
Exact Mass264.04
IUPAC NameN-[5-(ethylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCNS(=O)(=O)c1nnc(NC(=O)CC)s1
InChIInChI=1S/C7H12N4O3S2/c1-3-5(12)9-6-10-11-7(15-6)16(13,14)8-4-2/h8H,3-4H2,1-2H3,(H,9,10,12)
InChIKeyAHGKXKAWYCRZCJ-UHFFFAOYSA-N
XLogP0.18
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.18
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'}

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Related Compounds

N-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]propanamide
CID 71392216
N-[5-[(2,6-dimethylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100735030
N-[5-[(2,4-dichlorophenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100568826
N-[5-[(2,6-difluorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100558951
N-[5-[2-[(4-methylphenyl)methylsulfanyl]ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100595328
N-[5-(3-naphthalen-1-ylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 100760488
N-[5-[3-[(3S)-3-methylpiperidin-1-yl]propylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 125053761
N-[5-[[3-(trifluoromethyl)phenyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100546980
N-[5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100515290
N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 2039486
N-[5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 133228886
N-[5-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100596907

Frequently Asked Questions

What is the IUPAC name of N-[5-(ethylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of N-[5-(ethylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 100748256) is N-[5-(ethylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-(ethylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for N-[5-(ethylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide is CCNS(=O)(=O)c1nnc(NC(=O)CC)s1.
What is the InChIKey of N-[5-(ethylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is AHGKXKAWYCRZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3S2/c1-3-5(12)9-6-10-11-7(15-6)16(13,14)8-4-2/h8H,3-4H2,1-2H3,(H,9,10,12).
What are the key properties of N-[5-(ethylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide?
N-[5-(ethylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 264.33 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(ethylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 100748256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).