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

C7H12F2N4OS — CID 107486196

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESNc1nnc(CN(CCO)CC(F)F)s1
InChIInChI=1S/C7H12F2N4OS/c8-5(9)3-13(1-2-14)4-6-11-12-7(10)15-6/h5,14H,1-4H2,(H2,10,12)
InChIKeyJYFFBLFSKZJVAI-UHFFFAOYSA-N
MW238.26 g/mol
LogP0.18
Rot. Bonds6

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107486196) has the molecular formula C7H12F2N4OS and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
PubChem CID107486196
Molecular FormulaC7H12F2N4OS
Molecular Weight238.26 g/mol
Exact Mass238.07
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESNc1nnc(CN(CCO)CC(F)F)s1
InChIInChI=1S/C7H12F2N4OS/c8-5(9)3-13(1-2-14)4-6-11-12-7(10)15-6/h5,14H,1-4H2,(H2,10,12)
InChIKeyJYFFBLFSKZJVAI-UHFFFAOYSA-N
XLogP0.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol (CID 107486196) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol is Nc1nnc(CN(CCO)CC(F)F)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is JYFFBLFSKZJVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N4OS/c8-5(9)3-13(1-2-14)4-6-11-12-7(10)15-6/h5,14H,1-4H2,(H2,10,12).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 238.26 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107486196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).