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

C6H8F3N3OS — CID 83959821

IUPAC2-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]ethanol
SMILESOCCNCc1nsc(C(F)(F)F)n1
InChIInChI=1S/C6H8F3N3OS/c7-6(8,9)5-11-4(12-14-5)3-10-1-2-13/h10,13H,1-3H2
InChIKeyJVEPWRZBAPSPEQ-UHFFFAOYSA-N
MW227.21 g/mol
LogP0.64
Rot. Bonds4

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

2-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]ethanol (PubChem CID 83959821) has the molecular formula C6H8F3N3OS and a molecular weight of 227.21 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]ethanol
PubChem CID83959821
Molecular FormulaC6H8F3N3OS
Molecular Weight227.21 g/mol
Exact Mass227.03
IUPAC Name2-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]ethanol
SMILESOCCNCc1nsc(C(F)(F)F)n1
InChIInChI=1S/C6H8F3N3OS/c7-6(8,9)5-11-4(12-14-5)3-10-1-2-13/h10,13H,1-3H2
InChIKeyJVEPWRZBAPSPEQ-UHFFFAOYSA-N
XLogP0.64
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[5-(Trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]propan-1-ol
CID 83959822
N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine
CID 83959831
1,1,1-Trifluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 103702775
3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 103736426
1,1-Difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 103894632
3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol
CID 103894639
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
N-(2-methoxyethyl)-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 107305482
2-[2,2-Difluoroethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 107484209
2-[(3-Methyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484503

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]ethanol?
The IUPAC name of 2-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]ethanol (CID 83959821) is 2-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]ethanol?
The canonical SMILES for 2-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]ethanol is OCCNCc1nsc(C(F)(F)F)n1.
What is the InChIKey of 2-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]ethanol?
The InChIKey is JVEPWRZBAPSPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3OS/c7-6(8,9)5-11-4(12-14-5)3-10-1-2-13/h10,13H,1-3H2.
What are the key properties of 2-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]ethanol?
2-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]ethanol has a molecular weight of 227.21 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]ethanol is sourced from PubChem (CID 83959821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).