2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,N-diethylpropanamide

C12H20N4OS — CID 113408656

IUPAC2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Nc1nc(C2CC2)ns1
InChIInChI=1S/C12H20N4OS/c1-4-16(5-2)11(17)8(3)13-12-14-10(15-18-12)9-6-7-9/h8-9H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyQFWSOBYKUWURCK-UHFFFAOYSA-N
MW268.39 g/mol
LogP2.08
Rot. Bonds6

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

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,N-diethylpropanamide (PubChem CID 113408656) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,N-diethylpropanamide
PubChem CID113408656
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Nc1nc(C2CC2)ns1
InChIInChI=1S/C12H20N4OS/c1-4-16(5-2)11(17)8(3)13-12-14-10(15-18-12)9-6-7-9/h8-9H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyQFWSOBYKUWURCK-UHFFFAOYSA-N
XLogP2.08
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,N-diethylpropanamide 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 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,N-diethylpropanamide?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,N-diethylpropanamide (CID 113408656) is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)Nc1nc(C2CC2)ns1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,N-diethylpropanamide?
The InChIKey is QFWSOBYKUWURCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-4-16(5-2)11(17)8(3)13-12-14-10(15-18-12)9-6-7-9/h8-9H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,N-diethylpropanamide?
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,N-diethylpropanamide has a molecular weight of 268.39 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,N-diethylpropanamide is sourced from PubChem (CID 113408656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).