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N-[2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;trihydrochloride

C17H29Cl3N4OS — CID 119902119

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;trihydrochloride
SMILESCC(CNC(=O)C1CSCN1)N1CCN(c2ccccc2)CC1.Cl.Cl.Cl
InChIInChI=1S/C17H26N4OS.3ClH/c1-14(11-18-17(22)16-12-23-13-19-16)20-7-9-21(10-8-20)15-5-3-2-4-6-15;;;/h2-6,14,16,19H,7-13H2,1H3,(H,18,22);3*1H
InChIKeyCHMVBNXSLFJQTD-UHFFFAOYSA-N
MW443.87 g/mol
LogP2.24
Rot. Bonds5

About N-[2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;trihydrochloride

N-[2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;trihydrochloride (PubChem CID 119902119) has the molecular formula C17H29Cl3N4OS and a molecular weight of 443.87 g/mol. Its IUPAC name is N-[2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;trihydrochloride.

Molecular Properties

Compound NameN-[2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;trihydrochloride
PubChem CID119902119
Molecular FormulaC17H29Cl3N4OS
Molecular Weight443.87 g/mol
Exact Mass442.11
IUPAC NameN-[2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;trihydrochloride
SMILESCC(CNC(=O)C1CSCN1)N1CCN(c2ccccc2)CC1.Cl.Cl.Cl
InChIInChI=1S/C17H26N4OS.3ClH/c1-14(11-18-17(22)16-12-23-13-19-16)20-7-9-21(10-8-20)15-5-3-2-4-6-15;;;/h2-6,14,16,19H,7-13H2,1H3,(H,18,22);3*1H
InChIKeyCHMVBNXSLFJQTD-UHFFFAOYSA-N
XLogP2.24
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.87
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;trihydrochloride?
The IUPAC name of N-[2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;trihydrochloride (CID 119902119) is N-[2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;trihydrochloride.
What is the SMILES notation for N-[2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;trihydrochloride?
The canonical SMILES for N-[2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;trihydrochloride is CC(CNC(=O)C1CSCN1)N1CCN(c2ccccc2)CC1.Cl.Cl.Cl.
What is the InChIKey of N-[2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;trihydrochloride?
The InChIKey is CHMVBNXSLFJQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4OS.3ClH/c1-14(11-18-17(22)16-12-23-13-19-16)20-7-9-21(10-8-20)15-5-3-2-4-6-15;;;/h2-6,14,16,19H,7-13H2,1H3,(H,18,22);3*1H.
What are the key properties of N-[2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;trihydrochloride?
N-[2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;trihydrochloride has a molecular weight of 443.87 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;trihydrochloride is sourced from PubChem (CID 119902119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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