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

C8H10F3N3OS — CID 107305025

IUPAC3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclobutan-1-ol
SMILESOC1CC(CNc2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)6-13-7(16-14-6)12-3-4-1-5(15)2-4/h4-5,15H,1-3H2,(H,12,13,14)
InChIKeyXONVWXXHKOFIGD-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.74
Rot. Bonds3

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

3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclobutan-1-ol (PubChem CID 107305025) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is 3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclobutan-1-ol
PubChem CID107305025
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC Name3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclobutan-1-ol
SMILESOC1CC(CNc2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)6-13-7(16-14-6)12-3-4-1-5(15)2-4/h4-5,15H,1-3H2,(H,12,13,14)
InChIKeyXONVWXXHKOFIGD-UHFFFAOYSA-N
XLogP1.74
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclobutan-1-ol (CID 107305025) is 3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclobutan-1-ol is OC1CC(CNc2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of 3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclobutan-1-ol?
The InChIKey is XONVWXXHKOFIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c9-8(10,11)6-13-7(16-14-6)12-3-4-1-5(15)2-4/h4-5,15H,1-3H2,(H,12,13,14).
What are the key properties of 3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclobutan-1-ol?
3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclobutan-1-ol has a molecular weight of 253.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 107305025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).