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

C10H16F3N3OS — CID 106254685

IUPAC2-ethyl-2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H16F3N3OS/c1-3-9(4-2,6-17)5-14-8-15-7(16-18-8)10(11,12)13/h17H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyNPAZZTUOAZBZGH-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.77
Rot. Bonds6

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

2-ethyl-2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]butan-1-ol (PubChem CID 106254685) has the molecular formula C10H16F3N3OS and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-ethyl-2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]butan-1-ol
PubChem CID106254685
Molecular FormulaC10H16F3N3OS
Molecular Weight283.32 g/mol
Exact Mass283.10
IUPAC Name2-ethyl-2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H16F3N3OS/c1-3-9(4-2,6-17)5-14-8-15-7(16-18-8)10(11,12)13/h17H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyNPAZZTUOAZBZGH-UHFFFAOYSA-N
XLogP2.77
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]butan-1-ol (CID 106254685) is 2-ethyl-2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]butan-1-ol is CCC(CC)(CO)CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-ethyl-2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]butan-1-ol?
The InChIKey is NPAZZTUOAZBZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3OS/c1-3-9(4-2,6-17)5-14-8-15-7(16-18-8)10(11,12)13/h17H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of 2-ethyl-2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]butan-1-ol?
2-ethyl-2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]butan-1-ol has a molecular weight of 283.32 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]butan-1-ol is sourced from PubChem (CID 106254685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).