(5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione

C17H12Cl2N2O2S — CID 18840962

IUPAC(5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione
SMILESC/C(=C1/SC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)c1cccc(N)c1
InChIInChI=1S/C17H12Cl2N2O2S/c1-9(10-3-2-4-11(20)7-10)15-16(22)21(17(23)24-15)12-5-6-13(18)14(19)8-12/h2-8H,20H2,1H3/b15-9-
InChIKeyCETSOFIGFYRJSO-DHDCSXOGSA-N
MW379.27 g/mol
LogP5.21
Rot. Bonds2

About (5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione

(5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 18840962) has the molecular formula C17H12Cl2N2O2S and a molecular weight of 379.27 g/mol. Its IUPAC name is (5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione
PubChem CID18840962
Molecular FormulaC17H12Cl2N2O2S
Molecular Weight379.27 g/mol
Exact Mass378.00
IUPAC Name(5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione
SMILESC/C(=C1/SC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)c1cccc(N)c1
InChIInChI=1S/C17H12Cl2N2O2S/c1-9(10-3-2-4-11(20)7-10)15-16(22)21(17(23)24-15)12-5-6-13(18)14(19)8-12/h2-8H,20H2,1H3/b15-9-
InChIKeyCETSOFIGFYRJSO-DHDCSXOGSA-N
XLogP5.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.27
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione (CID 18840962) is (5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione is C/C(=C1/SC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)c1cccc(N)c1.
What is the InChIKey of (5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is CETSOFIGFYRJSO-DHDCSXOGSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2S/c1-9(10-3-2-4-11(20)7-10)15-16(22)21(17(23)24-15)12-5-6-13(18)14(19)8-12/h2-8H,20H2,1H3/b15-9-.
What are the key properties of (5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 379.27 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18840962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).