2-(3-propyl-1,2,4-thiadiazol-5-yl)pentan-3-one

C10H16N2OS — CID 65279988

IUPAC2-(3-propyl-1,2,4-thiadiazol-5-yl)pentan-3-one
SMILESCCCc1nsc(C(C)C(=O)CC)n1
InChIInChI=1S/C10H16N2OS/c1-4-6-9-11-10(14-12-9)7(3)8(13)5-2/h7H,4-6H2,1-3H3
InChIKeyAGXMXUXKDSCYDV-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.57
Rot. Bonds5

About 2-(3-propyl-1,2,4-thiadiazol-5-yl)pentan-3-one

2-(3-propyl-1,2,4-thiadiazol-5-yl)pentan-3-one (PubChem CID 65279988) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-(3-propyl-1,2,4-thiadiazol-5-yl)pentan-3-one.

Molecular Properties

Compound Name2-(3-propyl-1,2,4-thiadiazol-5-yl)pentan-3-one
PubChem CID65279988
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-(3-propyl-1,2,4-thiadiazol-5-yl)pentan-3-one
SMILESCCCc1nsc(C(C)C(=O)CC)n1
InChIInChI=1S/C10H16N2OS/c1-4-6-9-11-10(14-12-9)7(3)8(13)5-2/h7H,4-6H2,1-3H3
InChIKeyAGXMXUXKDSCYDV-UHFFFAOYSA-N
XLogP2.57
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-propyl-1,2,4-thiadiazol-5-yl)pentan-3-one 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-propyl-1,2,4-thiadiazol-5-yl)pentan-3-one?
The IUPAC name of 2-(3-propyl-1,2,4-thiadiazol-5-yl)pentan-3-one (CID 65279988) is 2-(3-propyl-1,2,4-thiadiazol-5-yl)pentan-3-one.
What is the SMILES notation for 2-(3-propyl-1,2,4-thiadiazol-5-yl)pentan-3-one?
The canonical SMILES for 2-(3-propyl-1,2,4-thiadiazol-5-yl)pentan-3-one is CCCc1nsc(C(C)C(=O)CC)n1.
What is the InChIKey of 2-(3-propyl-1,2,4-thiadiazol-5-yl)pentan-3-one?
The InChIKey is AGXMXUXKDSCYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-4-6-9-11-10(14-12-9)7(3)8(13)5-2/h7H,4-6H2,1-3H3.
What are the key properties of 2-(3-propyl-1,2,4-thiadiazol-5-yl)pentan-3-one?
2-(3-propyl-1,2,4-thiadiazol-5-yl)pentan-3-one has a molecular weight of 212.32 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propyl-1,2,4-thiadiazol-5-yl)pentan-3-one is sourced from PubChem (CID 65279988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).