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

C10H17F2N3OS — CID 107484326

IUPAC2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESCC(C)(C)c1nsc(N(CCO)CC(F)F)n1
InChIInChI=1S/C10H17F2N3OS/c1-10(2,3)8-13-9(17-14-8)15(4-5-16)6-7(11)12/h7,16H,4-6H2,1-3H3
InChIKeyYAESDOXTFMQETK-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.90
Rot. Bonds5

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

2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107484326) has the molecular formula C10H17F2N3OS and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol
PubChem CID107484326
Molecular FormulaC10H17F2N3OS
Molecular Weight265.33 g/mol
Exact Mass265.11
IUPAC Name2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESCC(C)(C)c1nsc(N(CCO)CC(F)F)n1
InChIInChI=1S/C10H17F2N3OS/c1-10(2,3)8-13-9(17-14-8)15(4-5-16)6-7(11)12/h7,16H,4-6H2,1-3H3
InChIKeyYAESDOXTFMQETK-UHFFFAOYSA-N
XLogP1.90
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol (CID 107484326) is 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol is CC(C)(C)c1nsc(N(CCO)CC(F)F)n1.
What is the InChIKey of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is YAESDOXTFMQETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3OS/c1-10(2,3)8-13-9(17-14-8)15(4-5-16)6-7(11)12/h7,16H,4-6H2,1-3H3.
What are the key properties of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol?
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 265.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107484326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).