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

C7H8F3N3OS — CID 162534553

IUPAC1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-ol
SMILESOC1CCCN1c1nnc(C(F)(F)F)s1
InChIInChI=1S/C7H8F3N3OS/c8-7(9,10)5-11-12-6(15-5)13-3-1-2-4(13)14/h4,14H,1-3H2
InChIKeyVCAGLNXNKOMVLU-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.48
Rot. Bonds1

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

1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-ol (PubChem CID 162534553) has the molecular formula C7H8F3N3OS and a molecular weight of 239.22 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-ol.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-ol
PubChem CID162534553
Molecular FormulaC7H8F3N3OS
Molecular Weight239.22 g/mol
Exact Mass239.03
IUPAC Name1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-ol
SMILESOC1CCCN1c1nnc(C(F)(F)F)s1
InChIInChI=1S/C7H8F3N3OS/c8-7(9,10)5-11-12-6(15-5)13-3-1-2-4(13)14/h4,14H,1-3H2
InChIKeyVCAGLNXNKOMVLU-UHFFFAOYSA-N
XLogP1.48
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanamine
CID 114449985
2-[2-(bromomethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 114450318
2-[2-(bromomethyl)piperidin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 114450324
1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3,4-diol
CID 106673354
[3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanol
CID 102786812
N-methyl-2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]ethanamine
CID 114449920
1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carbaldehyde
CID 114450239
2-[3-oxo-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-2-yl]acetic acid
CID 114449382
N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]propanamide
CID 86799553
2-(3-ethylpyrrolidin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 133493215
N,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-2-carboxamide
CID 114449935
1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone
CID 126758394

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-ol?
The IUPAC name of 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-ol (CID 162534553) is 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-ol.
What is the SMILES notation for 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-ol?
The canonical SMILES for 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-ol is OC1CCCN1c1nnc(C(F)(F)F)s1.
What is the InChIKey of 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-ol?
The InChIKey is VCAGLNXNKOMVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3OS/c8-7(9,10)5-11-12-6(15-5)13-3-1-2-4(13)14/h4,14H,1-3H2.
What are the key properties of 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-ol?
1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-ol has a molecular weight of 239.22 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 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]pyrrolidin-2-ol is sourced from PubChem (CID 162534553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).