N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride

C16H26Cl2N4O3S2 — CID 119830904

IUPACN-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCCN1CCN(S(=O)(=O)c2cccc(NC(=O)C3CSCN3)c2)CC1.Cl.Cl
InChIInChI=1S/C16H24N4O3S2.2ClH/c1-2-19-6-8-20(9-7-19)25(22,23)14-5-3-4-13(10-14)18-16(21)15-11-24-12-17-15;;/h3-5,10,15,17H,2,6-9,11-12H2,1H3,(H,18,21);2*1H
InChIKeyNJBSIXIHEAZVGQ-UHFFFAOYSA-N
MW457.45 g/mol
LogP1.46
Rot. Bonds5

About N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride

N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride (PubChem CID 119830904) has the molecular formula C16H26Cl2N4O3S2 and a molecular weight of 457.45 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
PubChem CID119830904
Molecular FormulaC16H26Cl2N4O3S2
Molecular Weight457.45 g/mol
Exact Mass456.08
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCCN1CCN(S(=O)(=O)c2cccc(NC(=O)C3CSCN3)c2)CC1.Cl.Cl
InChIInChI=1S/C16H24N4O3S2.2ClH/c1-2-19-6-8-20(9-7-19)25(22,23)14-5-3-4-13(10-14)18-16(21)15-11-24-12-17-15;;/h3-5,10,15,17H,2,6-9,11-12H2,1H3,(H,18,21);2*1H
InChIKeyNJBSIXIHEAZVGQ-UHFFFAOYSA-N
XLogP1.46
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.45
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4S)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120639924
N-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 54862152
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide
CID 55374541
N-[3-(tert-butylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119270867
N-[3-(propanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 61250253
N-(3-ethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24703459
4-hydroxy-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-2-carboxamide
CID 119864415
N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119312829
2-amino-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]benzamide;dihydrochloride
CID 119946153
N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119853195
N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24689839
N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 119329159

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride (CID 119830904) is N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride is CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C3CSCN3)c2)CC1.Cl.Cl.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The InChIKey is NJBSIXIHEAZVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S2.2ClH/c1-2-19-6-8-20(9-7-19)25(22,23)14-5-3-4-13(10-14)18-16(21)15-11-24-12-17-15;;/h3-5,10,15,17H,2,6-9,11-12H2,1H3,(H,18,21);2*1H.
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride has a molecular weight of 457.45 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119830904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).