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

C13H23Cl3N4OS — CID 67934628

IUPACN-[2-(dimethylamino)ethyl]-N-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;trihydrochloride
SMILESCN(C)CCN(C(=O)C1CSCN1)c1cccnc1.Cl.Cl.Cl
InChIInChI=1S/C13H20N4OS.3ClH/c1-16(2)6-7-17(11-4-3-5-14-8-11)13(18)12-9-19-10-15-12;;;/h3-5,8,12,15H,6-7,9-10H2,1-2H3;3*1H
InChIKeyJRTKFOHKTCVUEA-UHFFFAOYSA-N
MW389.78 g/mol
LogP1.90
Rot. Bonds5

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

N-[2-(dimethylamino)ethyl]-N-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;trihydrochloride (PubChem CID 67934628) has the molecular formula C13H23Cl3N4OS and a molecular weight of 389.78 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;trihydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;trihydrochloride
PubChem CID67934628
Molecular FormulaC13H23Cl3N4OS
Molecular Weight389.78 g/mol
Exact Mass388.07
IUPAC NameN-[2-(dimethylamino)ethyl]-N-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;trihydrochloride
SMILESCN(C)CCN(C(=O)C1CSCN1)c1cccnc1.Cl.Cl.Cl
InChIInChI=1S/C13H20N4OS.3ClH/c1-16(2)6-7-17(11-4-3-5-14-8-11)13(18)12-9-19-10-15-12;;;/h3-5,8,12,15H,6-7,9-10H2,1-2H3;3*1H
InChIKeyJRTKFOHKTCVUEA-UHFFFAOYSA-N
XLogP1.90
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.78
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;trihydrochloride?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;trihydrochloride (CID 67934628) is N-[2-(dimethylamino)ethyl]-N-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;trihydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;trihydrochloride?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;trihydrochloride is CN(C)CCN(C(=O)C1CSCN1)c1cccnc1.Cl.Cl.Cl.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;trihydrochloride?
The InChIKey is JRTKFOHKTCVUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS.3ClH/c1-16(2)6-7-17(11-4-3-5-14-8-11)13(18)12-9-19-10-15-12;;;/h3-5,8,12,15H,6-7,9-10H2,1-2H3;3*1H.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;trihydrochloride?
N-[2-(dimethylamino)ethyl]-N-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;trihydrochloride has a molecular weight of 389.78 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;trihydrochloride is sourced from PubChem (CID 67934628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).