5-(dimethylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pentanamide

C22H23F3N4OS — CID 157240234

IUPAC5-(dimethylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pentanamide
SMILESCN(C)CCCCC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(-c2cccnc2)cs1
InChIInChI=1S/C22H23F3N4OS/c1-28(2)12-4-3-10-20(30)29(18-9-5-8-17(13-18)22(23,24)25)21-27-19(15-31-21)16-7-6-11-26-14-16/h5-9,11,13-15H,3-4,10,12H2,1-2H3
InChIKeyAVCVOLOKUWFYFH-UHFFFAOYSA-N
MW448.51 g/mol
LogP5.62
Rot. Bonds8

About 5-(dimethylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pentanamide

5-(dimethylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pentanamide (PubChem CID 157240234) has the molecular formula C22H23F3N4OS and a molecular weight of 448.51 g/mol. Its IUPAC name is 5-(dimethylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pentanamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pentanamide
PubChem CID157240234
Molecular FormulaC22H23F3N4OS
Molecular Weight448.51 g/mol
Exact Mass448.15
IUPAC Name5-(dimethylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pentanamide
SMILESCN(C)CCCCC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(-c2cccnc2)cs1
InChIInChI=1S/C22H23F3N4OS/c1-28(2)12-4-3-10-20(30)29(18-9-5-8-17(13-18)22(23,24)25)21-27-19(15-31-21)16-7-6-11-26-14-16/h5-9,11,13-15H,3-4,10,12H2,1-2H3
InChIKeyAVCVOLOKUWFYFH-UHFFFAOYSA-N
XLogP5.62
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.51
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(dimethylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pentanamide 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 5-(dimethylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pentanamide?
The IUPAC name of 5-(dimethylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pentanamide (CID 157240234) is 5-(dimethylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pentanamide.
What is the SMILES notation for 5-(dimethylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pentanamide?
The canonical SMILES for 5-(dimethylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pentanamide is CN(C)CCCCC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(-c2cccnc2)cs1.
What is the InChIKey of 5-(dimethylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pentanamide?
The InChIKey is AVCVOLOKUWFYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4OS/c1-28(2)12-4-3-10-20(30)29(18-9-5-8-17(13-18)22(23,24)25)21-27-19(15-31-21)16-7-6-11-26-14-16/h5-9,11,13-15H,3-4,10,12H2,1-2H3.
What are the key properties of 5-(dimethylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pentanamide?
5-(dimethylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pentanamide has a molecular weight of 448.51 g/mol, XLogP of 5.62, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pentanamide is sourced from PubChem (CID 157240234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).