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

C7H11F2N3OS — CID 107484209

IUPAC2-[2,2-difluoroethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCc1nsc(N(CCO)CC(F)F)n1
InChIInChI=1S/C7H11F2N3OS/c1-5-10-7(14-11-5)12(2-3-13)4-6(8)9/h6,13H,2-4H2,1H3
InChIKeyUZTLQGATRJHCKR-UHFFFAOYSA-N
MW223.25 g/mol
LogP0.91
Rot. Bonds5

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

2-[2,2-difluoroethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol (PubChem CID 107484209) has the molecular formula C7H11F2N3OS and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
PubChem CID107484209
Molecular FormulaC7H11F2N3OS
Molecular Weight223.25 g/mol
Exact Mass223.06
IUPAC Name2-[2,2-difluoroethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCc1nsc(N(CCO)CC(F)F)n1
InChIInChI=1S/C7H11F2N3OS/c1-5-10-7(14-11-5)12(2-3-13)4-6(8)9/h6,13H,2-4H2,1H3
InChIKeyUZTLQGATRJHCKR-UHFFFAOYSA-N
XLogP0.91
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(2,2,2-Trifluoroethyl)guanidino]-3-hydroxymethyl-1,2,4-thiadiazole
CID 21298772
3-(methoxymethyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 75442119
2-[(3-Methyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258403
2-[[5-(Trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]ethanol
CID 83959821
[5-(Trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanol
CID 83959827
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107304692
2-[Propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305659
2-[Cyclopropyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305662
2-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305667
2-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305672
3-[Propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 107305674
2-[2-Hydroxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305676

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol (CID 107484209) is 2-[2,2-difluoroethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol is Cc1nsc(N(CCO)CC(F)F)n1.
What is the InChIKey of 2-[2,2-difluoroethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The InChIKey is UZTLQGATRJHCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3OS/c1-5-10-7(14-11-5)12(2-3-13)4-6(8)9/h6,13H,2-4H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
2-[2,2-difluoroethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol has a molecular weight of 223.25 g/mol, XLogP of 0.91, 5 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-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol is sourced from PubChem (CID 107484209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).