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

C19H18N2O4S — CID 18840146

IUPAC(5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(2,4-dimethoxyphenyl)-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(N2C(=O)S/C(=C(/C)c3cccc(N)c3)C2=O)c(OC)c1
InChIInChI=1S/C19H18N2O4S/c1-11(12-5-4-6-13(20)9-12)17-18(22)21(19(23)26-17)15-8-7-14(24-2)10-16(15)25-3/h4-10H,20H2,1-3H3/b17-11-
InChIKeyHDXRPIPRABTQIW-BOPFTXTBSA-N
MW370.43 g/mol
LogP3.92
Rot. Bonds4

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

(5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(2,4-dimethoxyphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 18840146) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is (5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(2,4-dimethoxyphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(2,4-dimethoxyphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID18840146
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name(5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(2,4-dimethoxyphenyl)-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(N2C(=O)S/C(=C(/C)c3cccc(N)c3)C2=O)c(OC)c1
InChIInChI=1S/C19H18N2O4S/c1-11(12-5-4-6-13(20)9-12)17-18(22)21(19(23)26-17)15-8-7-14(24-2)10-16(15)25-3/h4-10H,20H2,1-3H3/b17-11-
InChIKeyHDXRPIPRABTQIW-BOPFTXTBSA-N
XLogP3.92
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

(5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837360
(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836794
(5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione
CID 18840962
(5Z)-3-(3-chlorophenyl)-5-[1-(3-methoxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione
CID 18840482
(5Z)-5-[1-(4-hydroxyphenyl)ethylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837254
(5E)-3-(2,4-dimethoxyphenyl)-5-[3-(2,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6207336
methyl 2-[(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate
CID 18841263
4-amino-2-(4-amino-2-methoxyphenyl)isoindole-1,3-dione
CID 139787318
2-[5-[1-(3-methoxyphenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
CID 4515343
(5Z)-3-(2,4-dimethoxyphenyl)-5-[(2,3-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6528108
(5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-3-(2,4-dimethoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18840062
2-[(5E)-5-[1-(3-methoxyphenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate
CID 7655660

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(2,4-dimethoxyphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(2,4-dimethoxyphenyl)-1,3-thiazolidine-2,4-dione (CID 18840146) is (5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(2,4-dimethoxyphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(2,4-dimethoxyphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(2,4-dimethoxyphenyl)-1,3-thiazolidine-2,4-dione is COc1ccc(N2C(=O)S/C(=C(/C)c3cccc(N)c3)C2=O)c(OC)c1.
What is the InChIKey of (5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(2,4-dimethoxyphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is HDXRPIPRABTQIW-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-11(12-5-4-6-13(20)9-12)17-18(22)21(19(23)26-17)15-8-7-14(24-2)10-16(15)25-3/h4-10H,20H2,1-3H3/b17-11-.
What are the key properties of (5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(2,4-dimethoxyphenyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(2,4-dimethoxyphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 370.43 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(2,4-dimethoxyphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18840146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).