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

C11H10Cl2N2O2S — CID 20525389

IUPAC3-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione
SMILESNCCN1C(=O)SC(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C11H10Cl2N2O2S/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
InChIKeyXCFMYUVHWWOGKX-UHFFFAOYSA-N
MW305.19 g/mol
LogP2.69
Rot. Bonds3

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

3-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 20525389) has the molecular formula C11H10Cl2N2O2S and a molecular weight of 305.19 g/mol. Its IUPAC name is 3-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione
PubChem CID20525389
Molecular FormulaC11H10Cl2N2O2S
Molecular Weight305.19 g/mol
Exact Mass303.98
IUPAC Name3-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione
SMILESNCCN1C(=O)SC(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C11H10Cl2N2O2S/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
InChIKeyXCFMYUVHWWOGKX-UHFFFAOYSA-N
XLogP2.69
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione (CID 20525389) is 3-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione is 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?
The InChIKey is XCFMYUVHWWOGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2S/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.
What are the key properties of 3-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione?
3-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 305.19 g/mol, XLogP of 2.69, 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 is sourced from PubChem (CID 20525389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).