2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole

C14H14F3N3OS — CID 171705034

IUPAC2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(N2CCC(COc3ccncc3)C2)n1
InChIInChI=1S/C14H14F3N3OS/c15-14(16,17)12-9-22-13(19-12)20-6-3-10(7-20)8-21-11-1-4-18-5-2-11/h1-2,4-5,9-10H,3,6-8H2
InChIKeyOHGVRURCNOOGOY-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.46
Rot. Bonds4

About 2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole

2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 171705034) has the molecular formula C14H14F3N3OS and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID171705034
Molecular FormulaC14H14F3N3OS
Molecular Weight329.35 g/mol
Exact Mass329.08
IUPAC Name2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(N2CCC(COc3ccncc3)C2)n1
InChIInChI=1S/C14H14F3N3OS/c15-14(16,17)12-9-22-13(19-12)20-6-3-10(7-20)8-21-11-1-4-18-5-2-11/h1-2,4-5,9-10H,3,6-8H2
InChIKeyOHGVRURCNOOGOY-UHFFFAOYSA-N
XLogP3.46
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 171705034) is 2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1csc(N2CCC(COc3ccncc3)C2)n1.
What is the InChIKey of 2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is OHGVRURCNOOGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3OS/c15-14(16,17)12-9-22-13(19-12)20-6-3-10(7-20)8-21-11-1-4-18-5-2-11/h1-2,4-5,9-10H,3,6-8H2.
What are the key properties of 2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 329.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 171705034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).