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

C18H15F3N4OS — CID 166271591

IUPAC1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESOC1(c2cccc(C(F)(F)F)c2)CCN(c2ccnc(-c3nccs3)n2)C1
InChIInChI=1S/C18H15F3N4OS/c19-18(20,21)13-3-1-2-12(10-13)17(26)5-8-25(11-17)14-4-6-22-15(24-14)16-23-7-9-27-16/h1-4,6-7,9-10,26H,5,8,11H2
InChIKeyXZPFMCIXHKEZEH-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.72
Rot. Bonds3

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

1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol (PubChem CID 166271591) has the molecular formula C18H15F3N4OS and a molecular weight of 392.41 g/mol. Its IUPAC name is 1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
PubChem CID166271591
Molecular FormulaC18H15F3N4OS
Molecular Weight392.41 g/mol
Exact Mass392.09
IUPAC Name1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESOC1(c2cccc(C(F)(F)F)c2)CCN(c2ccnc(-c3nccs3)n2)C1
InChIInChI=1S/C18H15F3N4OS/c19-18(20,21)13-3-1-2-12(10-13)17(26)5-8-25(11-17)14-4-6-22-15(24-14)16-23-7-9-27-16/h1-4,6-7,9-10,26H,5,8,11H2
InChIKeyXZPFMCIXHKEZEH-UHFFFAOYSA-N
XLogP3.72
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 72885433
4-(1-methylimidazol-2-yl)-1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]piperidin-4-ol
CID 138050515
2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide
CID 70741919
1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 56701286
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide
CID 171929292
8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one
CID 167977261
1-[4-methyl-6-(thiophen-2-ylmethylamino)pyrimidin-2-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 3228627
1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 55116078
[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 56898774
4-(4-chlorophenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
CID 172892955
1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 10343628
1-[(1-propylimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 56905869

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol (CID 166271591) is 1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol is OC1(c2cccc(C(F)(F)F)c2)CCN(c2ccnc(-c3nccs3)n2)C1.
What is the InChIKey of 1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The InChIKey is XZPFMCIXHKEZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4OS/c19-18(20,21)13-3-1-2-12(10-13)17(26)5-8-25(11-17)14-4-6-22-15(24-14)16-23-7-9-27-16/h1-4,6-7,9-10,26H,5,8,11H2.
What are the key properties of 1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol has a molecular weight of 392.41 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 166271591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).