3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol

C7H11F2N3OS — CID 104858586

IUPAC3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol
SMILESCCc1nsc(NCC(F)(F)CO)n1
InChIInChI=1S/C7H11F2N3OS/c1-2-5-11-6(14-12-5)10-3-7(8,9)4-13/h13H,2-4H2,1H3,(H,10,11,12)
InChIKeyVIDBMCDLOWLCDF-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.14
Rot. Bonds5

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

3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 104858586) has the molecular formula C7H11F2N3OS and a molecular weight of 223.25 g/mol. Its IUPAC name is 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID104858586
Molecular FormulaC7H11F2N3OS
Molecular Weight223.25 g/mol
Exact Mass223.06
IUPAC Name3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol
SMILESCCc1nsc(NCC(F)(F)CO)n1
InChIInChI=1S/C7H11F2N3OS/c1-2-5-11-6(14-12-5)10-3-7(8,9)4-13/h13H,2-4H2,1H3,(H,10,11,12)
InChIKeyVIDBMCDLOWLCDF-UHFFFAOYSA-N
XLogP1.14
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol 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 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol (CID 104858586) is 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol is CCc1nsc(NCC(F)(F)CO)n1.
What is the InChIKey of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is VIDBMCDLOWLCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3OS/c1-2-5-11-6(14-12-5)10-3-7(8,9)4-13/h13H,2-4H2,1H3,(H,10,11,12).
What are the key properties of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol?
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 223.25 g/mol, XLogP of 1.14, 5 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]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104858586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).