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

C5H6F3N3OS — CID 107304692

IUPAC2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
SMILESOCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C5H6F3N3OS/c6-5(7,8)3-10-4(13-11-3)9-1-2-12/h12H,1-2H2,(H,9,10,11)
InChIKeyXMAATJZZPLWEPN-UHFFFAOYSA-N
MW213.18 g/mol
LogP0.96
Rot. Bonds3

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

2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol (PubChem CID 107304692) has the molecular formula C5H6F3N3OS and a molecular weight of 213.18 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
PubChem CID107304692
Molecular FormulaC5H6F3N3OS
Molecular Weight213.18 g/mol
Exact Mass213.02
IUPAC Name2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
SMILESOCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C5H6F3N3OS/c6-5(7,8)3-10-4(13-11-3)9-1-2-12/h12H,1-2H2,(H,9,10,11)
InChIKeyXMAATJZZPLWEPN-UHFFFAOYSA-N
XLogP0.96
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2,2-difluoro-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 106171882
N',N'-dimethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304685
N-octyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305075
N-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304642
2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl carbamate
CID 107305091
N-(2-ethoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304729
N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304751
4-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]phenol
CID 107304807
N-(2-cyclohexylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304747
N-(4-chloropentyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 106124620
N-cyclopropyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107305293
N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 106308254

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
The IUPAC name of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol (CID 107304692) is 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol.
What is the SMILES notation for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
The canonical SMILES for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol is OCCNc1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
The InChIKey is XMAATJZZPLWEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3OS/c6-5(7,8)3-10-4(13-11-3)9-1-2-12/h12H,1-2H2,(H,9,10,11).
What are the key properties of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol has a molecular weight of 213.18 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol is sourced from PubChem (CID 107304692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).