[1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutyl]methanol

C8H10F3N3OS — CID 114448761

IUPAC[1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutyl]methanol
SMILESOCC1(Nc2nnc(C(F)(F)F)s2)CCC1
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)5-13-14-6(16-5)12-7(4-15)2-1-3-7/h15H,1-4H2,(H,12,14)
InChIKeyJMFZLRIAYCDLMM-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.88
Rot. Bonds3

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

[1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutyl]methanol (PubChem CID 114448761) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is [1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutyl]methanol
PubChem CID114448761
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC Name[1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutyl]methanol
SMILESOCC1(Nc2nnc(C(F)(F)F)s2)CCC1
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)5-13-14-6(16-5)12-7(4-15)2-1-3-7/h15H,1-4H2,(H,12,14)
InChIKeyJMFZLRIAYCDLMM-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutyl]methanol with MolForge

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Related Compounds

2-(Hydroxymethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propane-1,3-diol
CID 107849355
2-Ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propane-1,3-diol
CID 107866204
[1-[[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]methanol
CID 113586977
3-Methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentan-1-ol
CID 114153551
[4-[[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]oxan-4-yl]methanol
CID 114170326
4-Methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentan-1-ol
CID 114448528
[1-[[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopentyl]methanol
CID 114449681
2-Ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butan-1-ol
CID 114449682
2-Methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butan-1-ol
CID 114449706
2-Methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propane-1,3-diol
CID 114449740
3-Methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butan-1-ol
CID 114449780
[1-[[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopropyl]methanol
CID 114449781

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutyl]methanol?
The IUPAC name of [1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutyl]methanol (CID 114448761) is [1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutyl]methanol.
What is the SMILES notation for [1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutyl]methanol?
The canonical SMILES for [1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutyl]methanol is OCC1(Nc2nnc(C(F)(F)F)s2)CCC1.
What is the InChIKey of [1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutyl]methanol?
The InChIKey is JMFZLRIAYCDLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c9-8(10,11)5-13-14-6(16-5)12-7(4-15)2-1-3-7/h15H,1-4H2,(H,12,14).
What are the key properties of [1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutyl]methanol?
[1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutyl]methanol has a molecular weight of 253.25 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutyl]methanol is sourced from PubChem (CID 114448761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).