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

C28H34N4O2S — CID 57035847

IUPACN-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-2-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
SMILESCN(CCNC(=O)C1CSC(C)(c2cccnc2)N1)CCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34N4O2S/c1-28(24-14-9-15-29-20-24)31-25(21-35-28)27(33)30-16-17-32(2)18-19-34-26(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-15,20,25-26,31H,16-19,21H2,1-2H3,(H,30,33)
InChIKeyMAMQNJLPDWMUED-UHFFFAOYSA-N
MW490.67 g/mol
LogP3.81
Rot. Bonds11

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

N-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-2-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide (PubChem CID 57035847) has the molecular formula C28H34N4O2S and a molecular weight of 490.67 g/mol. Its IUPAC name is N-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-2-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-2-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
PubChem CID57035847
Molecular FormulaC28H34N4O2S
Molecular Weight490.67 g/mol
Exact Mass490.24
IUPAC NameN-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-2-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
SMILESCN(CCNC(=O)C1CSC(C)(c2cccnc2)N1)CCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34N4O2S/c1-28(24-14-9-15-29-20-24)31-25(21-35-28)27(33)30-16-17-32(2)18-19-34-26(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-15,20,25-26,31H,16-19,21H2,1-2H3,(H,30,33)
InChIKeyMAMQNJLPDWMUED-UHFFFAOYSA-N
XLogP3.81
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.67
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-2-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

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6,6-dimethyl-5-oxo-N-[2-(pyridine-3-carbonylamino)ethyl]thiomorpholine-3-carboxamide
CID 74245475
N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
CID 67902424
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CID 39577664
N-[2-(4-benzhydrylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide
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CID 60501602
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N-(3-butoxypropyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-2-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-2-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide (CID 57035847) is N-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-2-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-2-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-2-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide is CN(CCNC(=O)C1CSC(C)(c2cccnc2)N1)CCOC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-2-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide?
The InChIKey is MAMQNJLPDWMUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2S/c1-28(24-14-9-15-29-20-24)31-25(21-35-28)27(33)30-16-17-32(2)18-19-34-26(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-15,20,25-26,31H,16-19,21H2,1-2H3,(H,30,33).
What are the key properties of N-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-2-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide?
N-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-2-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide has a molecular weight of 490.67 g/mol, XLogP of 3.81, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-2-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 57035847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).