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

C8H10F3N3OS — CID 114448526

IUPAC1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclobutan-1-ol
SMILESOC1(CNc2nnc(C(F)(F)F)s2)CCC1
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)5-13-14-6(16-5)12-4-7(15)2-1-3-7/h15H,1-4H2,(H,12,14)
InChIKeyNQCOHBYBNLFOJF-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.88
Rot. Bonds3

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

1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclobutan-1-ol (PubChem CID 114448526) 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]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclobutan-1-ol
PubChem CID114448526
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC Name1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclobutan-1-ol
SMILESOC1(CNc2nnc(C(F)(F)F)s2)CCC1
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)5-13-14-6(16-5)12-4-7(15)2-1-3-7/h15H,1-4H2,(H,12,14)
InChIKeyNQCOHBYBNLFOJF-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

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Related Compounds

4,4-dimethyl-1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclohexan-1-ol
CID 114449710
1-[(1-hydroxycyclobutyl)methyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 111437559
1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclobutane-1-carboxylic acid
CID 114449455
1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cycloheptane-1-carboxylic acid
CID 114449454
2-[1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopropyl]ethanol
CID 114749641
[1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutyl]methanol
CID 114448761
N-[(1-propan-2-ylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104924706
1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol
CID 107305005
2-(hydroxymethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propane-1,3-diol
CID 107849355
2-methyl-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butan-2-ol
CID 114448469
1-methylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide
CID 138998662
N'-ethyl-N'-propyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
CID 114134174

Frequently Asked Questions

What is the IUPAC name of 1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclobutan-1-ol (CID 114448526) is 1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclobutan-1-ol is OC1(CNc2nnc(C(F)(F)F)s2)CCC1.
What is the InChIKey of 1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclobutan-1-ol?
The InChIKey is NQCOHBYBNLFOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c9-8(10,11)5-13-14-6(16-5)12-4-7(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]methyl]cyclobutan-1-ol?
1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclobutan-1-ol 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]methyl]cyclobutan-1-ol is sourced from PubChem (CID 114448526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).