4-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]butanamide

C6H9BrN4OS — CID 64625301

IUPAC4-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]butanamide
SMILESNC(=O)CCCNc1nnc(Br)s1
InChIInChI=1S/C6H9BrN4OS/c7-5-10-11-6(13-5)9-3-1-2-4(8)12/h1-3H2,(H2,8,12)(H,9,11)
InChIKeyDVEUHKQPFFCFAD-UHFFFAOYSA-N
MW265.14 g/mol
LogP0.98
Rot. Bonds5

About 4-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]butanamide

4-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]butanamide (PubChem CID 64625301) has the molecular formula C6H9BrN4OS and a molecular weight of 265.14 g/mol. Its IUPAC name is 4-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]butanamide.

Molecular Properties

Compound Name4-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]butanamide
PubChem CID64625301
Molecular FormulaC6H9BrN4OS
Molecular Weight265.14 g/mol
Exact Mass263.97
IUPAC Name4-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]butanamide
SMILESNC(=O)CCCNc1nnc(Br)s1
InChIInChI=1S/C6H9BrN4OS/c7-5-10-11-6(13-5)9-3-1-2-4(8)12/h1-3H2,(H2,8,12)(H,9,11)
InChIKeyDVEUHKQPFFCFAD-UHFFFAOYSA-N
XLogP0.98
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]butanamide?
The IUPAC name of 4-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]butanamide (CID 64625301) is 4-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]butanamide.
What is the SMILES notation for 4-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]butanamide?
The canonical SMILES for 4-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]butanamide is NC(=O)CCCNc1nnc(Br)s1.
What is the InChIKey of 4-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]butanamide?
The InChIKey is DVEUHKQPFFCFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN4OS/c7-5-10-11-6(13-5)9-3-1-2-4(8)12/h1-3H2,(H2,8,12)(H,9,11).
What are the key properties of 4-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]butanamide?
4-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]butanamide has a molecular weight of 265.14 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]butanamide is sourced from PubChem (CID 64625301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).