3-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione;hydrobromide

C11H11BrCl2N2O2S — CID 20525388

IUPAC3-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione;hydrobromide
SMILESBr.NCCN1C(=O)SC(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C11H10Cl2N2O2S.BrH/c12-7-2-1-6(5-8(7)13)9-10(16)15(4-3-14)11(17)18-9;/h1-2,5,9H,3-4,14H2;1H
InChIKeyGSAUYTMSPRQGIP-UHFFFAOYSA-N
MW386.10 g/mol
LogP3.27
Rot. Bonds3

About 3-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione;hydrobromide

3-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione;hydrobromide (PubChem CID 20525388) has the molecular formula C11H11BrCl2N2O2S and a molecular weight of 386.10 g/mol. Its IUPAC name is 3-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione;hydrobromide.

Molecular Properties

Compound Name3-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione;hydrobromide
PubChem CID20525388
Molecular FormulaC11H11BrCl2N2O2S
Molecular Weight386.10 g/mol
Exact Mass383.91
IUPAC Name3-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione;hydrobromide
SMILESBr.NCCN1C(=O)SC(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C11H10Cl2N2O2S.BrH/c12-7-2-1-6(5-8(7)13)9-10(16)15(4-3-14)11(17)18-9;/h1-2,5,9H,3-4,14H2;1H
InChIKeyGSAUYTMSPRQGIP-UHFFFAOYSA-N
XLogP3.27
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.10
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1-yl-ethyl)-acetamide
CID 398830
(R)-3-Amino-4-(3,4-dichloro-phenyl)-1-thiazolidin-3-yl-butan-1-one
CID 44394072
2-(3,4-dichlorophenyl)-~{N}-(2-sulfanylethyl)ethanamide
CID 137333970
2-(3,4-dichlorophenyl)-N-[(2S)-1-(2,5-dihydropyrrol-1-yl)-4-methylsulfanylbutan-2-yl]-N-methylacetamide
CID 44313433
2-(3,4-Dichlorophenyl)-1-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]ethanone
CID 15730161
2-[2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-ethylacetamide
CID 24712213
5-[(3,4-Dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazolidin-4-one
CID 71620665
5-[(3,4-Dichlorophenyl)methyl]-2-(4-ethenyl-2,3-dihydropyrazin-1-yl)-1,3-thiazolidin-4-one
CID 71620666
2-(3,4-Dichlorophenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one
CID 24715466
N-[2-[(5Z)-5-[(3,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(4-fluorophenyl)acetamide
CID 16273193
N-[2-[(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(3-fluorophenyl)acetamide
CID 24402088
N-[2-[(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-fluorophenyl)acetamide
CID 24402106

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione;hydrobromide?
The IUPAC name of 3-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione;hydrobromide (CID 20525388) is 3-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione;hydrobromide.
What is the SMILES notation for 3-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione;hydrobromide?
The canonical SMILES for 3-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione;hydrobromide is Br.NCCN1C(=O)SC(c2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of 3-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione;hydrobromide?
The InChIKey is GSAUYTMSPRQGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2S.BrH/c12-7-2-1-6(5-8(7)13)9-10(16)15(4-3-14)11(17)18-9;/h1-2,5,9H,3-4,14H2;1H.
What are the key properties of 3-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione;hydrobromide?
3-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione;hydrobromide has a molecular weight of 386.10 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione;hydrobromide is sourced from PubChem (CID 20525388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).