5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one

C19H19N3O2S — CID 3761879

IUPAC5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SC(=Cc2ccc(N(C)C)cc2)C(=O)N1c1ccccc1OC
InChIInChI=1S/C19H19N3O2S/c1-21(2)14-10-8-13(9-11-14)12-17-18(23)22(19(20)25-17)15-6-4-5-7-16(15)24-3/h4-12,20H,1-3H3/b17-12?,20-19-
InChIKeyPHODNEQLGQTFOL-CJXYAKPCSA-N
MW353.45 g/mol
LogP3.82
Rot. Bonds4

About 5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one

5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 3761879) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID3761879
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SC(=Cc2ccc(N(C)C)cc2)C(=O)N1c1ccccc1OC
InChIInChI=1S/C19H19N3O2S/c1-21(2)14-10-8-13(9-11-14)12-17-18(23)22(19(20)25-17)15-6-4-5-7-16(15)24-3/h4-12,20H,1-3H3/b17-12?,20-19-
InChIKeyPHODNEQLGQTFOL-CJXYAKPCSA-N
XLogP3.82
TPSA56.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one (CID 3761879) is 5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one is [H]/N=C1\SC(=Cc2ccc(N(C)C)cc2)C(=O)N1c1ccccc1OC.
What is the InChIKey of 5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is PHODNEQLGQTFOL-CJXYAKPCSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-21(2)14-10-8-13(9-11-14)12-17-18(23)22(19(20)25-17)15-6-4-5-7-16(15)24-3/h4-12,20H,1-3H3/b17-12?,20-19-.
What are the key properties of 5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 353.45 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3761879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).