1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-one

C9H11F3N2OS — CID 105123405

IUPAC1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-one
SMILESCCc1nnsc1C(=O)CCCC(F)(F)F
InChIInChI=1S/C9H11F3N2OS/c1-2-6-8(16-14-13-6)7(15)4-3-5-9(10,11)12/h2-5H2,1H3
InChIKeyKAQCPOFVIOHQRL-UHFFFAOYSA-N
MW252.26 g/mol
LogP3.02
Rot. Bonds5

About 1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-one

1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-one (PubChem CID 105123405) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is 1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-one.

Molecular Properties

Compound Name1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-one
PubChem CID105123405
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC Name1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-one
SMILESCCc1nnsc1C(=O)CCCC(F)(F)F
InChIInChI=1S/C9H11F3N2OS/c1-2-6-8(16-14-13-6)7(15)4-3-5-9(10,11)12/h2-5H2,1H3
InChIKeyKAQCPOFVIOHQRL-UHFFFAOYSA-N
XLogP3.02
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-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 1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-one?
The IUPAC name of 1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-one (CID 105123405) is 1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-one.
What is the SMILES notation for 1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-one?
The canonical SMILES for 1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-one is CCc1nnsc1C(=O)CCCC(F)(F)F.
What is the InChIKey of 1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-one?
The InChIKey is KAQCPOFVIOHQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c1-2-6-8(16-14-13-6)7(15)4-3-5-9(10,11)12/h2-5H2,1H3.
What are the key properties of 1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-one?
1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-one has a molecular weight of 252.26 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-one is sourced from PubChem (CID 105123405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).