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

C7H10F3N3OS — CID 107484503

IUPAC2-[(3-methyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1nsc(N(CCO)CC(F)(F)F)n1
InChIInChI=1S/C7H10F3N3OS/c1-5-11-6(15-12-5)13(2-3-14)4-7(8,9)10/h14H,2-4H2,1H3
InChIKeyCAOXAIIACLONEZ-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.21
Rot. Bonds4

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

2-[(3-methyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107484503) has the molecular formula C7H10F3N3OS and a molecular weight of 241.24 g/mol. Its IUPAC name is 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107484503
Molecular FormulaC7H10F3N3OS
Molecular Weight241.24 g/mol
Exact Mass241.05
IUPAC Name2-[(3-methyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1nsc(N(CCO)CC(F)(F)F)n1
InChIInChI=1S/C7H10F3N3OS/c1-5-11-6(15-12-5)13(2-3-14)4-7(8,9)10/h14H,2-4H2,1H3
InChIKeyCAOXAIIACLONEZ-UHFFFAOYSA-N
XLogP1.21
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.21
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-[(3-methyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107484503) is 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol is Cc1nsc(N(CCO)CC(F)(F)F)n1.
What is the InChIKey of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is CAOXAIIACLONEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3OS/c1-5-11-6(15-12-5)13(2-3-14)4-7(8,9)10/h14H,2-4H2,1H3.
What are the key properties of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(3-methyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 241.24 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107484503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).