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

C7H8F3N3OS — CID 114449720

IUPAC3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol
SMILESOC1CC(Nc2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C7H8F3N3OS/c8-7(9,10)5-12-13-6(15-5)11-3-1-4(14)2-3/h3-4,14H,1-2H2,(H,11,13)
InChIKeyHKSTZQPQPOLCGC-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.49
Rot. Bonds2

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

3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol (PubChem CID 114449720) has the molecular formula C7H8F3N3OS and a molecular weight of 239.22 g/mol. Its IUPAC name is 3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol
PubChem CID114449720
Molecular FormulaC7H8F3N3OS
Molecular Weight239.22 g/mol
Exact Mass239.03
IUPAC Name3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol
SMILESOC1CC(Nc2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C7H8F3N3OS/c8-7(9,10)5-12-13-6(15-5)11-3-1-4(14)2-3/h3-4,14H,1-2H2,(H,11,13)
InChIKeyHKSTZQPQPOLCGC-UHFFFAOYSA-N
XLogP1.49
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol?
The IUPAC name of 3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol (CID 114449720) is 3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol.
What is the SMILES notation for 3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol?
The canonical SMILES for 3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol is OC1CC(Nc2nnc(C(F)(F)F)s2)C1.
What is the InChIKey of 3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol?
The InChIKey is HKSTZQPQPOLCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3OS/c8-7(9,10)5-12-13-6(15-5)11-3-1-4(14)2-3/h3-4,14H,1-2H2,(H,11,13).
What are the key properties of 3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol?
3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol has a molecular weight of 239.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol is sourced from PubChem (CID 114449720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).