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

C19H19N3O2S — CID 135547289

IUPAC(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccccc1/N=C1\NC(=O)/C(=C/c2ccc(N(C)C)cc2)S1
InChIInChI=1S/C19H19N3O2S/c1-22(2)14-10-8-13(9-11-14)12-17-18(23)21-19(25-17)20-15-6-4-5-7-16(15)24-3/h4-12H,1-3H3,(H,20,21,23)/b17-12-
InChIKeyDJASFOSCTMEIDT-ATVHPVEESA-N
MW353.45 g/mol
LogP3.65
Rot. Bonds4

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

(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135547289) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135547289
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccccc1/N=C1\NC(=O)/C(=C/c2ccc(N(C)C)cc2)S1
InChIInChI=1S/C19H19N3O2S/c1-22(2)14-10-8-13(9-11-14)12-17-18(23)21-19(25-17)20-15-6-4-5-7-16(15)24-3/h4-12H,1-3H3,(H,20,21,23)/b17-12-
InChIKeyDJASFOSCTMEIDT-ATVHPVEESA-N
XLogP3.65
TPSA53.93 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 ≤ 53.65
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 (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one (CID 135547289) is (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one is COc1ccccc1/N=C1\NC(=O)/C(=C/c2ccc(N(C)C)cc2)S1.
What is the InChIKey of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is DJASFOSCTMEIDT-ATVHPVEESA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-22(2)14-10-8-13(9-11-14)12-17-18(23)21-19(25-17)20-15-6-4-5-7-16(15)24-3/h4-12H,1-3H3,(H,20,21,23)/b17-12-.
What are the key properties of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one?
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 353.45 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135547289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).