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

C22H18N2O3S — CID 94863150

IUPAC(5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc1
InChIInChI=1S/C22H18N2O3S/c1-26-18-11-9-16(10-12-18)14-20-21(25)24(15-19-8-5-13-27-19)22(28-20)23-17-6-3-2-4-7-17/h2-14H,15H2,1H3/b20-14-,23-22-
InChIKeyRTEAXKKVOVJRJR-DJOYVXLESA-N
MW390.46 g/mol
LogP5.09
Rot. Bonds5

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

(5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 94863150) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is (5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID94863150
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC Name(5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc1
InChIInChI=1S/C22H18N2O3S/c1-26-18-11-9-16(10-12-18)14-20-21(25)24(15-19-8-5-13-27-19)22(28-20)23-17-6-3-2-4-7-17/h2-14H,15H2,1H3/b20-14-,23-22-
InChIKeyRTEAXKKVOVJRJR-DJOYVXLESA-N
XLogP5.09
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.09
H-Bond Donors ≤ 50
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)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 94863150) is (5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc1.
What is the InChIKey of (5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is RTEAXKKVOVJRJR-DJOYVXLESA-N. The full InChI is InChI=1S/C22H18N2O3S/c1-26-18-11-9-16(10-12-18)14-20-21(25)24(15-19-8-5-13-27-19)22(28-20)23-17-6-3-2-4-7-17/h2-14H,15H2,1H3/b20-14-,23-22-.
What are the key properties of (5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 390.46 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 94863150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).