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

C10H16F3N3OS — CID 107305683

IUPAC2-[pentan-3-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
SMILESCCC(CC)N(CCO)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H16F3N3OS/c1-3-7(4-2)16(5-6-17)9-14-8(15-18-9)10(11,12)13/h7,17H,3-6H2,1-2H3
InChIKeyRWQWEVUQCVAFGZ-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.54
Rot. Bonds6

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

2-[pentan-3-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol (PubChem CID 107305683) has the molecular formula C10H16F3N3OS and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-[pentan-3-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol.

Molecular Properties

Compound Name2-[pentan-3-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
PubChem CID107305683
Molecular FormulaC10H16F3N3OS
Molecular Weight283.32 g/mol
Exact Mass283.10
IUPAC Name2-[pentan-3-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
SMILESCCC(CC)N(CCO)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H16F3N3OS/c1-3-7(4-2)16(5-6-17)9-14-8(15-18-9)10(11,12)13/h7,17H,3-6H2,1-2H3
InChIKeyRWQWEVUQCVAFGZ-UHFFFAOYSA-N
XLogP2.54
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 164639795
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
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanol
CID 107305663
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
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]methanol
CID 107305678
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-[Cyclohexyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305685

Frequently Asked Questions

What is the IUPAC name of 2-[pentan-3-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
The IUPAC name of 2-[pentan-3-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol (CID 107305683) is 2-[pentan-3-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol.
What is the SMILES notation for 2-[pentan-3-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
The canonical SMILES for 2-[pentan-3-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol is CCC(CC)N(CCO)c1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-[pentan-3-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
The InChIKey is RWQWEVUQCVAFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3OS/c1-3-7(4-2)16(5-6-17)9-14-8(15-18-9)10(11,12)13/h7,17H,3-6H2,1-2H3.
What are the key properties of 2-[pentan-3-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
2-[pentan-3-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol has a molecular weight of 283.32 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pentan-3-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol is sourced from PubChem (CID 107305683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).