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

C18H16N2O3S — CID 1227489

IUPAC(5Z)-2-imino-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(OC)cc1
InChIInChI=1S/C18H16N2O3S/c1-22-14-7-3-12(4-8-14)11-16-17(21)20(18(19)24-16)13-5-9-15(23-2)10-6-13/h3-11,19H,1-2H3/b16-11-,19-18-
InChIKeyCSZYWJHBKIHGFY-UGZHYMOWSA-N
MW340.40 g/mol
LogP3.76
Rot. Bonds4

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

(5Z)-2-imino-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 1227489) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is (5Z)-2-imino-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-imino-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID1227489
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name(5Z)-2-imino-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(OC)cc1
InChIInChI=1S/C18H16N2O3S/c1-22-14-7-3-12(4-8-14)11-16-17(21)20(18(19)24-16)13-5-9-15(23-2)10-6-13/h3-11,19H,1-2H3/b16-11-,19-18-
InChIKeyCSZYWJHBKIHGFY-UGZHYMOWSA-N
XLogP3.76
TPSA62.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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)-2-imino-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-imino-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 1227489) is (5Z)-2-imino-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-imino-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-imino-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(OC)cc1.
What is the InChIKey of (5Z)-2-imino-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is CSZYWJHBKIHGFY-UGZHYMOWSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-22-14-7-3-12(4-8-14)11-16-17(21)20(18(19)24-16)13-5-9-15(23-2)10-6-13/h3-11,19H,1-2H3/b16-11-,19-18-.
What are the key properties of (5Z)-2-imino-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-imino-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 340.40 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-imino-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 1227489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).