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

C8H13BrN4OS — CID 64622442

IUPAC3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nnc(Br)s1
InChIInChI=1S/C8H13BrN4OS/c1-2-4-10-6(14)3-5-11-8-13-12-7(9)15-8/h2-5H2,1H3,(H,10,14)(H,11,13)
InChIKeyZKKRFMZJMWRGTO-UHFFFAOYSA-N
MW293.19 g/mol
LogP1.63
Rot. Bonds6

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

3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-propylpropanamide (PubChem CID 64622442) has the molecular formula C8H13BrN4OS and a molecular weight of 293.19 g/mol. Its IUPAC name is 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-propylpropanamide
PubChem CID64622442
Molecular FormulaC8H13BrN4OS
Molecular Weight293.19 g/mol
Exact Mass292.00
IUPAC Name3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nnc(Br)s1
InChIInChI=1S/C8H13BrN4OS/c1-2-4-10-6(14)3-5-11-8-13-12-7(9)15-8/h2-5H2,1H3,(H,10,14)(H,11,13)
InChIKeyZKKRFMZJMWRGTO-UHFFFAOYSA-N
XLogP1.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-propylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-propylpropanamide?
The IUPAC name of 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-propylpropanamide (CID 64622442) is 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-propylpropanamide is CCCNC(=O)CCNc1nnc(Br)s1.
What is the InChIKey of 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-propylpropanamide?
The InChIKey is ZKKRFMZJMWRGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN4OS/c1-2-4-10-6(14)3-5-11-8-13-12-7(9)15-8/h2-5H2,1H3,(H,10,14)(H,11,13).
What are the key properties of 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-propylpropanamide?
3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-propylpropanamide has a molecular weight of 293.19 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 64622442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).