(5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one

C21H16N2O2S — CID 118548275

IUPAC(5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccccc2)S/C(=N\c2ccccc2)N1Cc1ccco1
InChIInChI=1S/C21H16N2O2S/c24-20-19(14-16-8-3-1-4-9-16)26-21(22-17-10-5-2-6-11-17)23(20)15-18-12-7-13-25-18/h1-14H,15H2/b19-14-,22-21-
InChIKeyUHRHGTCZHWYAEX-IECUCWQJSA-N
MW360.44 g/mol
LogP5.08
Rot. Bonds4

About (5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one

(5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 118548275) has the molecular formula C21H16N2O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is (5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID118548275
Molecular FormulaC21H16N2O2S
Molecular Weight360.44 g/mol
Exact Mass360.09
IUPAC Name(5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccccc2)S/C(=N\c2ccccc2)N1Cc1ccco1
InChIInChI=1S/C21H16N2O2S/c24-20-19(14-16-8-3-1-4-9-16)26-21(22-17-10-5-2-6-11-17)23(20)15-18-12-7-13-25-18/h1-14H,15H2/b19-14-,22-21-
InChIKeyUHRHGTCZHWYAEX-IECUCWQJSA-N
XLogP5.08
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.44
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-5-benzylidene-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one (CID 118548275) is (5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccccc2)S/C(=N\c2ccccc2)N1Cc1ccco1.
What is the InChIKey of (5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is UHRHGTCZHWYAEX-IECUCWQJSA-N. The full InChI is InChI=1S/C21H16N2O2S/c24-20-19(14-16-8-3-1-4-9-16)26-21(22-17-10-5-2-6-11-17)23(20)15-18-12-7-13-25-18/h1-14H,15H2/b19-14-,22-21-.
What are the key properties of (5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 360.44 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 118548275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).