2-[2-fluoroethyl(propyl)amino]ethanethioamide

C7H15FN2S — CID 80694552

IUPAC2-[2-fluoroethyl(propyl)amino]ethanethioamide
SMILESCCCN(CCF)CC(N)=S
InChIInChI=1S/C7H15FN2S/c1-2-4-10(5-3-8)6-7(9)11/h2-6H2,1H3,(H2,9,11)
InChIKeyBXNHYWFGDMQHOT-UHFFFAOYSA-N
MW178.28 g/mol
LogP0.95
Rot. Bonds6

About 2-[2-fluoroethyl(propyl)amino]ethanethioamide

2-[2-fluoroethyl(propyl)amino]ethanethioamide (PubChem CID 80694552) has the molecular formula C7H15FN2S and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-[2-fluoroethyl(propyl)amino]ethanethioamide.

Molecular Properties

Compound Name2-[2-fluoroethyl(propyl)amino]ethanethioamide
PubChem CID80694552
Molecular FormulaC7H15FN2S
Molecular Weight178.28 g/mol
Exact Mass178.09
IUPAC Name2-[2-fluoroethyl(propyl)amino]ethanethioamide
SMILESCCCN(CCF)CC(N)=S
InChIInChI=1S/C7H15FN2S/c1-2-4-10(5-3-8)6-7(9)11/h2-6H2,1H3,(H2,9,11)
InChIKeyBXNHYWFGDMQHOT-UHFFFAOYSA-N
XLogP0.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[2-fluoroethyl(propyl)amino]ethanethioamide 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-[2-fluoroethyl(propyl)amino]ethanethioamide?
The IUPAC name of 2-[2-fluoroethyl(propyl)amino]ethanethioamide (CID 80694552) is 2-[2-fluoroethyl(propyl)amino]ethanethioamide.
What is the SMILES notation for 2-[2-fluoroethyl(propyl)amino]ethanethioamide?
The canonical SMILES for 2-[2-fluoroethyl(propyl)amino]ethanethioamide is CCCN(CCF)CC(N)=S.
What is the InChIKey of 2-[2-fluoroethyl(propyl)amino]ethanethioamide?
The InChIKey is BXNHYWFGDMQHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2S/c1-2-4-10(5-3-8)6-7(9)11/h2-6H2,1H3,(H2,9,11).
What are the key properties of 2-[2-fluoroethyl(propyl)amino]ethanethioamide?
2-[2-fluoroethyl(propyl)amino]ethanethioamide has a molecular weight of 178.28 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoroethyl(propyl)amino]ethanethioamide is sourced from PubChem (CID 80694552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).