4-pyridin-3-yl-2-[[4-(3-pyrrolidin-1-ylpropoxy)-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole

C23H24F3N3OS — CID 158525346

IUPAC4-pyridin-3-yl-2-[[4-(3-pyrrolidin-1-ylpropoxy)-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1cc(Cc2nc(-c3cccnc3)cs2)ccc1OCCCN1CCCC1
InChIInChI=1S/C23H24F3N3OS/c24-23(25,26)19-13-17(6-7-21(19)30-12-4-11-29-9-1-2-10-29)14-22-28-20(16-31-22)18-5-3-8-27-15-18/h3,5-8,13,15-16H,1-2,4,9-12,14H2
InChIKeyHMSJERHNEHHNJL-UHFFFAOYSA-N
MW447.53 g/mol
LogP5.68
Rot. Bonds8

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

4-pyridin-3-yl-2-[[4-(3-pyrrolidin-1-ylpropoxy)-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole (PubChem CID 158525346) has the molecular formula C23H24F3N3OS and a molecular weight of 447.53 g/mol. Its IUPAC name is 4-pyridin-3-yl-2-[[4-(3-pyrrolidin-1-ylpropoxy)-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-pyridin-3-yl-2-[[4-(3-pyrrolidin-1-ylpropoxy)-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
PubChem CID158525346
Molecular FormulaC23H24F3N3OS
Molecular Weight447.53 g/mol
Exact Mass447.16
IUPAC Name4-pyridin-3-yl-2-[[4-(3-pyrrolidin-1-ylpropoxy)-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1cc(Cc2nc(-c3cccnc3)cs2)ccc1OCCCN1CCCC1
InChIInChI=1S/C23H24F3N3OS/c24-23(25,26)19-13-17(6-7-21(19)30-12-4-11-29-9-1-2-10-29)14-22-28-20(16-31-22)18-5-3-8-27-15-18/h3,5-8,13,15-16H,1-2,4,9-12,14H2
InChIKeyHMSJERHNEHHNJL-UHFFFAOYSA-N
XLogP5.68
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.53
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-pyridin-3-yl-2-[[4-(3-pyrrolidin-1-ylpropoxy)-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-2-[[4-(3-pyrrolidin-1-ylpropoxy)-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole?
The IUPAC name of 4-pyridin-3-yl-2-[[4-(3-pyrrolidin-1-ylpropoxy)-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole (CID 158525346) is 4-pyridin-3-yl-2-[[4-(3-pyrrolidin-1-ylpropoxy)-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-pyridin-3-yl-2-[[4-(3-pyrrolidin-1-ylpropoxy)-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole?
The canonical SMILES for 4-pyridin-3-yl-2-[[4-(3-pyrrolidin-1-ylpropoxy)-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole is FC(F)(F)c1cc(Cc2nc(-c3cccnc3)cs2)ccc1OCCCN1CCCC1.
What is the InChIKey of 4-pyridin-3-yl-2-[[4-(3-pyrrolidin-1-ylpropoxy)-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole?
The InChIKey is HMSJERHNEHHNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3OS/c24-23(25,26)19-13-17(6-7-21(19)30-12-4-11-29-9-1-2-10-29)14-22-28-20(16-31-22)18-5-3-8-27-15-18/h3,5-8,13,15-16H,1-2,4,9-12,14H2.
What are the key properties of 4-pyridin-3-yl-2-[[4-(3-pyrrolidin-1-ylpropoxy)-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole?
4-pyridin-3-yl-2-[[4-(3-pyrrolidin-1-ylpropoxy)-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole has a molecular weight of 447.53 g/mol, XLogP of 5.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-2-[[4-(3-pyrrolidin-1-ylpropoxy)-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole is sourced from PubChem (CID 158525346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).