N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide

C29H27F3N4OS — CID 59318157

IUPACN-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCCc1sc(NC(=O)c2ccc(N3CCC(c4cccc(C(F)(F)F)c4)CC3)nc2)nc1-c1ccccc1
InChIInChI=1S/C29H27F3N4OS/c1-2-24-26(20-7-4-3-5-8-20)34-28(38-24)35-27(37)22-11-12-25(33-18-22)36-15-13-19(14-16-36)21-9-6-10-23(17-21)29(30,31)32/h3-12,17-19H,2,13-16H2,1H3,(H,34,35,37)
InChIKeyRWNWFDZYCJDMKG-UHFFFAOYSA-N
MW536.62 g/mol
LogP7.42
Rot. Bonds6

About N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide

N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 59318157) has the molecular formula C29H27F3N4OS and a molecular weight of 536.62 g/mol. Its IUPAC name is N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID59318157
Molecular FormulaC29H27F3N4OS
Molecular Weight536.62 g/mol
Exact Mass536.19
IUPAC NameN-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCCc1sc(NC(=O)c2ccc(N3CCC(c4cccc(C(F)(F)F)c4)CC3)nc2)nc1-c1ccccc1
InChIInChI=1S/C29H27F3N4OS/c1-2-24-26(20-7-4-3-5-8-20)34-28(38-24)35-27(37)22-11-12-25(33-18-22)36-15-13-19(14-16-36)21-9-6-10-23(17-21)29(30,31)32/h3-12,17-19H,2,13-16H2,1H3,(H,34,35,37)
InChIKeyRWNWFDZYCJDMKG-UHFFFAOYSA-N
XLogP7.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.62
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide 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 N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide (CID 59318157) is N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide is CCc1sc(NC(=O)c2ccc(N3CCC(c4cccc(C(F)(F)F)c4)CC3)nc2)nc1-c1ccccc1.
What is the InChIKey of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is RWNWFDZYCJDMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F3N4OS/c1-2-24-26(20-7-4-3-5-8-20)34-28(38-24)35-27(37)22-11-12-25(33-18-22)36-15-13-19(14-16-36)21-9-6-10-23(17-21)29(30,31)32/h3-12,17-19H,2,13-16H2,1H3,(H,34,35,37).
What are the key properties of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide?
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 536.62 g/mol, XLogP of 7.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 59318157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).