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

C10H18N4OS — CID 65276960

IUPAC3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc(CC)ns1
InChIInChI=1S/C10H18N4OS/c1-3-6-11-9(15)5-7-12-10-13-8(4-2)14-16-10/h3-7H2,1-2H3,(H,11,15)(H,12,13,14)
InChIKeyKETNKTSHRAMHCY-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.43
Rot. Bonds7

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

3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide (PubChem CID 65276960) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide
PubChem CID65276960
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc(CC)ns1
InChIInChI=1S/C10H18N4OS/c1-3-6-11-9(15)5-7-12-10-13-8(4-2)14-16-10/h3-7H2,1-2H3,(H,11,15)(H,12,13,14)
InChIKeyKETNKTSHRAMHCY-UHFFFAOYSA-N
XLogP1.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide?
The IUPAC name of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide (CID 65276960) is 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide is CCCNC(=O)CCNc1nc(CC)ns1.
What is the InChIKey of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide?
The InChIKey is KETNKTSHRAMHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-3-6-11-9(15)5-7-12-10-13-8(4-2)14-16-10/h3-7H2,1-2H3,(H,11,15)(H,12,13,14).
What are the key properties of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide?
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide has a molecular weight of 242.35 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 65276960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).