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

C9H14F3N3OS — CID 107305680

IUPAC2-[butyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
SMILESCCCCN(CCO)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H14F3N3OS/c1-2-3-4-15(5-6-16)8-13-7(14-17-8)9(10,11)12/h16H,2-6H2,1H3
InChIKeyBHUHDFOLFHFDQE-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.16
Rot. Bonds6

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

2-[butyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol (PubChem CID 107305680) has the molecular formula C9H14F3N3OS and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-[butyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
PubChem CID107305680
Molecular FormulaC9H14F3N3OS
Molecular Weight269.29 g/mol
Exact Mass269.08
IUPAC Name2-[butyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
SMILESCCCCN(CCO)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H14F3N3OS/c1-2-3-4-15(5-6-16)8-13-7(14-17-8)9(10,11)12/h16H,2-6H2,1H3
InChIKeyBHUHDFOLFHFDQE-UHFFFAOYSA-N
XLogP2.16
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.16
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
1,1,1-Trifluoro-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 105647015
1,1-Difluoro-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 105647631
3-[2-Methoxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanenitrile
CID 107304512
1-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol
CID 107305164
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-ol
CID 107305656
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
CID 107305657
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

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
The IUPAC name of 2-[butyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol (CID 107305680) is 2-[butyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
The canonical SMILES for 2-[butyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol is CCCCN(CCO)c1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-[butyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
The InChIKey is BHUHDFOLFHFDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3OS/c1-2-3-4-15(5-6-16)8-13-7(14-17-8)9(10,11)12/h16H,2-6H2,1H3.
What are the key properties of 2-[butyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
2-[butyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol has a molecular weight of 269.29 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol is sourced from PubChem (CID 107305680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).