N-[2-(4-benzhydrylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide

C29H34N4OS — CID 19370333

IUPACN-[2-(4-benzhydrylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide
SMILESO=C(NCCN1CCC(C(c2ccccc2)c2ccccc2)CC1)C1(c2cccnc2)NCCS1
InChIInChI=1S/C29H34N4OS/c34-28(29(32-17-21-35-29)26-12-7-15-30-22-26)31-16-20-33-18-13-25(14-19-33)27(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-12,15,22,25,27,32H,13-14,16-21H2,(H,31,34)
InChIKeyLMJFTRAZVGOFCK-UHFFFAOYSA-N
MW486.69 g/mol
LogP4.23
Rot. Bonds8

About N-[2-(4-benzhydrylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide

N-[2-(4-benzhydrylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide (PubChem CID 19370333) has the molecular formula C29H34N4OS and a molecular weight of 486.69 g/mol. Its IUPAC name is N-[2-(4-benzhydrylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzhydrylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide
PubChem CID19370333
Molecular FormulaC29H34N4OS
Molecular Weight486.69 g/mol
Exact Mass486.25
IUPAC NameN-[2-(4-benzhydrylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide
SMILESO=C(NCCN1CCC(C(c2ccccc2)c2ccccc2)CC1)C1(c2cccnc2)NCCS1
InChIInChI=1S/C29H34N4OS/c34-28(29(32-17-21-35-29)26-12-7-15-30-22-26)31-16-20-33-18-13-25(14-19-33)27(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-12,15,22,25,27,32H,13-14,16-21H2,(H,31,34)
InChIKeyLMJFTRAZVGOFCK-UHFFFAOYSA-N
XLogP4.23
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.69
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-benzhydrylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-2-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-[2-(4-benzhydrylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide?
The IUPAC name of N-[2-(4-benzhydrylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide (CID 19370333) is N-[2-(4-benzhydrylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-benzhydrylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide?
The canonical SMILES for N-[2-(4-benzhydrylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide is O=C(NCCN1CCC(C(c2ccccc2)c2ccccc2)CC1)C1(c2cccnc2)NCCS1.
What is the InChIKey of N-[2-(4-benzhydrylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide?
The InChIKey is LMJFTRAZVGOFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4OS/c34-28(29(32-17-21-35-29)26-12-7-15-30-22-26)31-16-20-33-18-13-25(14-19-33)27(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-12,15,22,25,27,32H,13-14,16-21H2,(H,31,34).
What are the key properties of N-[2-(4-benzhydrylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide?
N-[2-(4-benzhydrylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide has a molecular weight of 486.69 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzhydrylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide is sourced from PubChem (CID 19370333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).