2-propyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pentanamide

C10H18N4O3S2 — CID 4228388

IUPAC2-propyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pentanamide
SMILESCCCC(CCC)C(=O)Nc1nnc(S(N)(=O)=O)s1
InChIInChI=1S/C10H18N4O3S2/c1-3-5-7(6-4-2)8(15)12-9-13-14-10(18-9)19(11,16)17/h7H,3-6H2,1-2H3,(H2,11,16,17)(H,12,13,15)
InChIKeyMMOGWZPLKFNWRO-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.34
Rot. Bonds7

About 2-propyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pentanamide

2-propyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pentanamide (PubChem CID 4228388) has the molecular formula C10H18N4O3S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-propyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pentanamide.

Molecular Properties

Compound Name2-propyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pentanamide
PubChem CID4228388
Molecular FormulaC10H18N4O3S2
Molecular Weight306.41 g/mol
Exact Mass306.08
IUPAC Name2-propyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pentanamide
SMILESCCCC(CCC)C(=O)Nc1nnc(S(N)(=O)=O)s1
InChIInChI=1S/C10H18N4O3S2/c1-3-5-7(6-4-2)8(15)12-9-13-14-10(18-9)19(11,16)17/h7H,3-6H2,1-2H3,(H2,11,16,17)(H,12,13,15)
InChIKeyMMOGWZPLKFNWRO-UHFFFAOYSA-N
XLogP1.34
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.34
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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Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pentanamide?
The IUPAC name of 2-propyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pentanamide (CID 4228388) is 2-propyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pentanamide.
What is the SMILES notation for 2-propyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pentanamide?
The canonical SMILES for 2-propyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pentanamide is CCCC(CCC)C(=O)Nc1nnc(S(N)(=O)=O)s1.
What is the InChIKey of 2-propyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pentanamide?
The InChIKey is MMOGWZPLKFNWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S2/c1-3-5-7(6-4-2)8(15)12-9-13-14-10(18-9)19(11,16)17/h7H,3-6H2,1-2H3,(H2,11,16,17)(H,12,13,15).
What are the key properties of 2-propyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pentanamide?
2-propyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pentanamide has a molecular weight of 306.41 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pentanamide is sourced from PubChem (CID 4228388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).