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

C8H9F3N2OS — CID 171704069

IUPAC1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C8H9F3N2OS/c9-8(10,11)6-4-15-7(12-6)13-2-1-5(14)3-13/h4-5,14H,1-3H2
InChIKeyQAGHNCJHWFBXPI-UHFFFAOYSA-N
MW238.23 g/mol
LogP1.73
Rot. Bonds1

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

1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-ol (PubChem CID 171704069) has the molecular formula C8H9F3N2OS and a molecular weight of 238.23 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-ol
PubChem CID171704069
Molecular FormulaC8H9F3N2OS
Molecular Weight238.23 g/mol
Exact Mass238.04
IUPAC Name1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C8H9F3N2OS/c9-8(10,11)6-4-15-7(12-6)13-2-1-5(14)3-13/h4-5,14H,1-3H2
InChIKeyQAGHNCJHWFBXPI-UHFFFAOYSA-N
XLogP1.73
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-ol (CID 171704069) is 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-ol is OC1CCN(c2nc(C(F)(F)F)cs2)C1.
What is the InChIKey of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-ol?
The InChIKey is QAGHNCJHWFBXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS/c9-8(10,11)6-4-15-7(12-6)13-2-1-5(14)3-13/h4-5,14H,1-3H2.
What are the key properties of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-ol?
1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-ol has a molecular weight of 238.23 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 171704069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).