N-(3-aminopropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride

C13H20ClN3O3S — CID 119408150

IUPACN-(3-aminopropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
SMILESCl.NCCCNC(=O)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C13H19N3O3S.ClH/c14-6-2-7-15-13(17)11-4-1-5-12(10-11)16-8-3-9-20(16,18)19;/h1,4-5,10H,2-3,6-9,14H2,(H,15,17);1H
InChIKeyAGBIQXDFFWKRFY-UHFFFAOYSA-N
MW333.84 g/mol
LogP0.73
Rot. Bonds5

About N-(3-aminopropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride

N-(3-aminopropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride (PubChem CID 119408150) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
PubChem CID119408150
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC NameN-(3-aminopropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
SMILESCl.NCCCNC(=O)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C13H19N3O3S.ClH/c14-6-2-7-15-13(17)11-4-1-5-12(10-11)16-8-3-9-20(16,18)19;/h1,4-5,10H,2-3,6-9,14H2,(H,15,17);1H
InChIKeyAGBIQXDFFWKRFY-UHFFFAOYSA-N
XLogP0.73
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(methylamino)propyl]benzamide
CID 119433279
N-[2-(cycloheptylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
CID 119620981
N-[2-(4-aminophenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 119549268
2-[2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethylsulfanyl]acetic acid
CID 119241903
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 51328573
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 55624572
N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
CID 119478134
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537198
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)benzamide
CID 51309461
3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 7659003
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-piperidin-3-ylethyl)benzamide
CID 119558574
N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 119478135

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride (CID 119408150) is N-(3-aminopropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride is Cl.NCCCNC(=O)c1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of N-(3-aminopropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride?
The InChIKey is AGBIQXDFFWKRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S.ClH/c14-6-2-7-15-13(17)11-4-1-5-12(10-11)16-8-3-9-20(16,18)19;/h1,4-5,10H,2-3,6-9,14H2,(H,15,17);1H.
What are the key properties of N-(3-aminopropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride?
N-(3-aminopropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride has a molecular weight of 333.84 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 119408150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).