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

C10H12F3N3OS — CID 113251658

IUPAC1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESOC1(C(F)(F)F)CCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)9(17)3-4-16(5-9)8-14-7(15-18-8)6-1-2-6/h6,17H,1-5H2
InChIKeyMLSSOGSHXFRBSU-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.92
Rot. Bonds2

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

1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 113251658) has the molecular formula C10H12F3N3OS and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID113251658
Molecular FormulaC10H12F3N3OS
Molecular Weight279.29 g/mol
Exact Mass279.07
IUPAC Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESOC1(C(F)(F)F)CCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)9(17)3-4-16(5-9)8-14-7(15-18-8)6-1-2-6/h6,17H,1-5H2
InChIKeyMLSSOGSHXFRBSU-UHFFFAOYSA-N
XLogP1.92
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
CID 107305755
2-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107484238
(2S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(3,3,3-trifluoropropyl)amino]propane-1,2-diol
CID 111977001
1-(3-Propyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737702
2-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 113964937
1-(3-Tert-butyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 133507957
1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
CID 65275173
1-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-2-methylpropan-2-ol
CID 79389601
3-Methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
CID 103357785
(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
CID 103718730
(3R)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
CID 103718735
1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidin-3-ol
CID 103868198

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol (CID 113251658) is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol is OC1(C(F)(F)F)CCN(c2nc(C3CC3)ns2)C1.
What is the InChIKey of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is MLSSOGSHXFRBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3OS/c11-10(12,13)9(17)3-4-16(5-9)8-14-7(15-18-8)6-1-2-6/h6,17H,1-5H2.
What are the key properties of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol?
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 279.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 113251658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).