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

C21H15ClN2O2S — CID 6504855

IUPAC(5Z)-5-[(3-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2cccc(Cl)c2)S/C(=N\c2ccccc2)N1Cc1ccco1
InChIInChI=1S/C21H15ClN2O2S/c22-16-7-4-6-15(12-16)13-19-20(25)24(14-18-10-5-11-26-18)21(27-19)23-17-8-2-1-3-9-17/h1-13H,14H2/b19-13-,23-21-
InChIKeyGYONDRBBSNEUSG-QFGKFHJGSA-N
MW394.88 g/mol
LogP5.74
Rot. Bonds4

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

(5Z)-5-[(3-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 6504855) has the molecular formula C21H15ClN2O2S and a molecular weight of 394.88 g/mol. Its IUPAC name is (5Z)-5-[(3-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID6504855
Molecular FormulaC21H15ClN2O2S
Molecular Weight394.88 g/mol
Exact Mass394.05
IUPAC Name(5Z)-5-[(3-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2cccc(Cl)c2)S/C(=N\c2ccccc2)N1Cc1ccco1
InChIInChI=1S/C21H15ClN2O2S/c22-16-7-4-6-15(12-16)13-19-20(25)24(14-18-10-5-11-26-18)21(27-19)23-17-8-2-1-3-9-17/h1-13H,14H2/b19-13-,23-21-
InChIKeyGYONDRBBSNEUSG-QFGKFHJGSA-N
XLogP5.74
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.88
LogP ≤ 55.74
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-[(3-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(3-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one (CID 6504855) is (5Z)-5-[(3-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(3-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(3-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one is O=C1/C(=C/c2cccc(Cl)c2)S/C(=N\c2ccccc2)N1Cc1ccco1.
What is the InChIKey of (5Z)-5-[(3-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is GYONDRBBSNEUSG-QFGKFHJGSA-N. The full InChI is InChI=1S/C21H15ClN2O2S/c22-16-7-4-6-15(12-16)13-19-20(25)24(14-18-10-5-11-26-18)21(27-19)23-17-8-2-1-3-9-17/h1-13H,14H2/b19-13-,23-21-.
What are the key properties of (5Z)-5-[(3-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(3-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 394.88 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 6504855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).