2-[2,2-difluoroethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanol

C8H13F2N3OS — CID 107484110

IUPAC2-[2,2-difluoroethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCCc1nsc(N(CCO)CC(F)F)n1
InChIInChI=1S/C8H13F2N3OS/c1-2-7-11-8(15-12-7)13(3-4-14)5-6(9)10/h6,14H,2-5H2,1H3
InChIKeyBWVXPZCBCWSYFR-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.16
Rot. Bonds6

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

2-[2,2-difluoroethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanol (PubChem CID 107484110) has the molecular formula C8H13F2N3OS and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanol
PubChem CID107484110
Molecular FormulaC8H13F2N3OS
Molecular Weight237.27 g/mol
Exact Mass237.07
IUPAC Name2-[2,2-difluoroethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCCc1nsc(N(CCO)CC(F)F)n1
InChIInChI=1S/C8H13F2N3OS/c1-2-7-11-8(15-12-7)13(3-4-14)5-6(9)10/h6,14H,2-5H2,1H3
InChIKeyBWVXPZCBCWSYFR-UHFFFAOYSA-N
XLogP1.16
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2,2-difluoroethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanol 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-[2,2-difluoroethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanol (CID 107484110) is 2-[2,2-difluoroethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanol is CCc1nsc(N(CCO)CC(F)F)n1.
What is the InChIKey of 2-[2,2-difluoroethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The InChIKey is BWVXPZCBCWSYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3OS/c1-2-7-11-8(15-12-7)13(3-4-14)5-6(9)10/h6,14H,2-5H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
2-[2,2-difluoroethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanol has a molecular weight of 237.27 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanol is sourced from PubChem (CID 107484110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).