N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride

C15H24Cl2N6O2S — CID 119873292

IUPACN-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)C1CSCN1
InChIInChI=1S/C15H22N6O2S.2ClH/c22-13(2-5-16-14(23)12-10-24-11-19-12)20-6-8-21(9-7-20)15-17-3-1-4-18-15;;/h1,3-4,12,19H,2,5-11H2,(H,16,23);2*1H
InChIKeyARNFURGRJDJLGH-UHFFFAOYSA-N
MW423.37 g/mol
LogP0.14
Rot. Bonds5

About N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride

N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride (PubChem CID 119873292) has the molecular formula C15H24Cl2N6O2S and a molecular weight of 423.37 g/mol. Its IUPAC name is N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
PubChem CID119873292
Molecular FormulaC15H24Cl2N6O2S
Molecular Weight423.37 g/mol
Exact Mass422.11
IUPAC NameN-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)C1CSCN1
InChIInChI=1S/C15H22N6O2S.2ClH/c22-13(2-5-16-14(23)12-10-24-11-19-12)20-6-8-21(9-7-20)15-17-3-1-4-18-15;;/h1,3-4,12,19H,2,5-11H2,(H,16,23);2*1H
InChIKeyARNFURGRJDJLGH-UHFFFAOYSA-N
XLogP0.14
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.37
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide
CID 43700130
2-methyl-3-(methylamino)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide;dihydrochloride
CID 119873276
(2S)-2-methylsulfanyl-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide
CID 95329290
2-(2-methoxyethyl)-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine
CID 110927938
methyl 4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoate
CID 110756099
1,2-dimethyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 110927945
3-(2-phenylethylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109024262
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 119902310
(4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119268318
4-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride
CID 119827999
1-(4-cyclopentylbutyl)-2-methyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111608696
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111095916

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride (CID 119873292) is N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)C1CSCN1.
What is the InChIKey of N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The InChIKey is ARNFURGRJDJLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S.2ClH/c22-13(2-5-16-14(23)12-10-24-11-19-12)20-6-8-21(9-7-20)15-17-3-1-4-18-15;;/h1,3-4,12,19H,2,5-11H2,(H,16,23);2*1H.
What are the key properties of N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride has a molecular weight of 423.37 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119873292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).