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

C6H8F3N3OS — CID 107305667

IUPAC2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
SMILESCN(CCO)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H8F3N3OS/c1-12(2-3-13)5-10-4(11-14-5)6(7,8)9/h13H,2-3H2,1H3
InChIKeyJRVUBQSPGMWTJG-UHFFFAOYSA-N
MW227.21 g/mol
LogP0.99
Rot. Bonds3

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

2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol (PubChem CID 107305667) has the molecular formula C6H8F3N3OS and a molecular weight of 227.21 g/mol. Its IUPAC name is 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
PubChem CID107305667
Molecular FormulaC6H8F3N3OS
Molecular Weight227.21 g/mol
Exact Mass227.03
IUPAC Name2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
SMILESCN(CCO)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H8F3N3OS/c1-12(2-3-13)5-10-4(11-14-5)6(7,8)9/h13H,2-3H2,1H3
InChIKeyJRVUBQSPGMWTJG-UHFFFAOYSA-N
XLogP0.99
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methoxymethyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 75442119
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107304692
1-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 107304711
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 107304712
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-[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
2-[Propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305679
2-[Butyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305680
2-[Pentan-3-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305683

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
The IUPAC name of 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol (CID 107305667) is 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
The canonical SMILES for 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol is CN(CCO)c1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
The InChIKey is JRVUBQSPGMWTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3OS/c1-12(2-3-13)5-10-4(11-14-5)6(7,8)9/h13H,2-3H2,1H3.
What are the key properties of 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol has a molecular weight of 227.21 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol is sourced from PubChem (CID 107305667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).