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

C9H15F2N3OS — CID 107484111

IUPAC2-[2,2-difluoroethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCC(C)c1nsc(N(CCO)CC(F)F)n1
InChIInChI=1S/C9H15F2N3OS/c1-6(2)8-12-9(16-13-8)14(3-4-15)5-7(10)11/h6-7,15H,3-5H2,1-2H3
InChIKeyKMQUXNNWFOXQBW-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.73
Rot. Bonds6

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

2-[2,2-difluoroethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol (PubChem CID 107484111) has the molecular formula C9H15F2N3OS and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol
PubChem CID107484111
Molecular FormulaC9H15F2N3OS
Molecular Weight251.30 g/mol
Exact Mass251.09
IUPAC Name2-[2,2-difluoroethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCC(C)c1nsc(N(CCO)CC(F)F)n1
InChIInChI=1S/C9H15F2N3OS/c1-6(2)8-12-9(16-13-8)14(3-4-15)5-7(10)11/h6-7,15H,3-5H2,1-2H3
InChIKeyKMQUXNNWFOXQBW-UHFFFAOYSA-N
XLogP1.73
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol (CID 107484111) is 2-[2,2-difluoroethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol is CC(C)c1nsc(N(CCO)CC(F)F)n1.
What is the InChIKey of 2-[2,2-difluoroethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The InChIKey is KMQUXNNWFOXQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3OS/c1-6(2)8-12-9(16-13-8)14(3-4-15)5-7(10)11/h6-7,15H,3-5H2,1-2H3.
What are the key properties of 2-[2,2-difluoroethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol?
2-[2,2-difluoroethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol has a molecular weight of 251.30 g/mol, XLogP of 1.73, 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-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol is sourced from PubChem (CID 107484111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).