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

C9H16N4OS — CID 65268164

IUPAC3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc(C)ns1
InChIInChI=1S/C9H16N4OS/c1-3-5-10-8(14)4-6-11-9-12-7(2)13-15-9/h3-6H2,1-2H3,(H,10,14)(H,11,12,13)
InChIKeyKOIWTNQJUKHNJV-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.17
Rot. Bonds6

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

3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide (PubChem CID 65268164) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide
PubChem CID65268164
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc(C)ns1
InChIInChI=1S/C9H16N4OS/c1-3-5-10-8(14)4-6-11-9-12-7(2)13-15-9/h3-6H2,1-2H3,(H,10,14)(H,11,12,13)
InChIKeyKOIWTNQJUKHNJV-UHFFFAOYSA-N
XLogP1.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide?
The IUPAC name of 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide (CID 65268164) is 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide is CCCNC(=O)CCNc1nc(C)ns1.
What is the InChIKey of 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide?
The InChIKey is KOIWTNQJUKHNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-3-5-10-8(14)4-6-11-9-12-7(2)13-15-9/h3-6H2,1-2H3,(H,10,14)(H,11,12,13).
What are the key properties of 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide?
3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide has a molecular weight of 228.32 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 65268164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).