[4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]anilino]azanium chloride

C11H14ClN3O2S — CID 10541321

IUPAC[4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]anilino]azanium chloride
SMILES[Cl-].[NH3+]Nc1ccc(CCN2C(=O)CSC2=O)cc1
InChIInChI=1S/C11H13N3O2S.ClH/c12-13-9-3-1-8(2-4-9)5-6-14-10(15)7-17-11(14)16;/h1-4,13H,5-7,12H2;1H
InChIKeyGVBWYXFGLHMUQL-UHFFFAOYSA-N
MW287.77 g/mol
LogP-2.50
Rot. Bonds4

About [4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]anilino]azanium chloride

[4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]anilino]azanium chloride (PubChem CID 10541321) has the molecular formula C11H14ClN3O2S and a molecular weight of 287.77 g/mol. Its IUPAC name is [4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]anilino]azanium chloride.

Molecular Properties

Compound Name[4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]anilino]azanium chloride
PubChem CID10541321
Molecular FormulaC11H14ClN3O2S
Molecular Weight287.77 g/mol
Exact Mass287.05
IUPAC Name[4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]anilino]azanium chloride
SMILES[Cl-].[NH3+]Nc1ccc(CCN2C(=O)CSC2=O)cc1
InChIInChI=1S/C11H13N3O2S.ClH/c12-13-9-3-1-8(2-4-9)5-6-14-10(15)7-17-11(14)16;/h1-4,13H,5-7,12H2;1H
InChIKeyGVBWYXFGLHMUQL-UHFFFAOYSA-N
XLogP-2.50
TPSA77.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 5-2.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(4-ethylphenyl)oxamide
CID 108522361
3-[2-(4-hydroxyphenyl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18593001
5-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]furan-2-carboxamide
CID 103622962
3-(2-fluoroethyl)-1,3-thiazolidine-2,4-dione
CID 126990912
4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methylamino]benzonitrile
CID 3141057
3-[2-(benzenesulfonyl)ethyl]-1,3-thiazolidine-2,4-dione
CID 3303685
N'-[(4-chlorophenyl)methyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108507812
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(4-fluorophenyl)oxamide
CID 108512666
2-(3,4-dichlorophenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 52717864
3-(3-chloropropyl)-1,3-thiazolidine-2,4-dione
CID 16790896
[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 7775542
[(2R)-1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 9061153

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]anilino]azanium chloride?
The IUPAC name of [4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]anilino]azanium chloride (CID 10541321) is [4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]anilino]azanium chloride.
What is the SMILES notation for [4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]anilino]azanium chloride?
The canonical SMILES for [4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]anilino]azanium chloride is [Cl-].[NH3+]Nc1ccc(CCN2C(=O)CSC2=O)cc1.
What is the InChIKey of [4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]anilino]azanium chloride?
The InChIKey is GVBWYXFGLHMUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S.ClH/c12-13-9-3-1-8(2-4-9)5-6-14-10(15)7-17-11(14)16;/h1-4,13H,5-7,12H2;1H.
What are the key properties of [4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]anilino]azanium chloride?
[4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]anilino]azanium chloride has a molecular weight of 287.77 g/mol, XLogP of -2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]anilino]azanium chloride is sourced from PubChem (CID 10541321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).