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

C20H22N2O3S — CID 1233227

IUPAC(5Z)-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(/N=C2/S/C(=C\c3ccc(C)o3)C(=O)N2CC(C)C)cc1
InChIInChI=1S/C20H22N2O3S/c1-13(2)12-22-19(23)18(11-17-8-5-14(3)25-17)26-20(22)21-15-6-9-16(24-4)10-7-15/h5-11,13H,12H2,1-4H3/b18-11-,21-20+
InChIKeyZVADKSUXXXGOOQ-HVEIJDALSA-N
MW370.47 g/mol
LogP4.86
Rot. Bonds5

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

(5Z)-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one (PubChem CID 1233227) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is (5Z)-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
PubChem CID1233227
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name(5Z)-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(/N=C2/S/C(=C\c3ccc(C)o3)C(=O)N2CC(C)C)cc1
InChIInChI=1S/C20H22N2O3S/c1-13(2)12-22-19(23)18(11-17-8-5-14(3)25-17)26-20(22)21-15-6-9-16(24-4)10-7-15/h5-11,13H,12H2,1-4H3/b18-11-,21-20+
InChIKeyZVADKSUXXXGOOQ-HVEIJDALSA-N
XLogP4.86
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.86
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)-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one (CID 1233227) is (5Z)-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one is COc1ccc(/N=C2/S/C(=C\c3ccc(C)o3)C(=O)N2CC(C)C)cc1.
What is the InChIKey of (5Z)-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is ZVADKSUXXXGOOQ-HVEIJDALSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-13(2)12-22-19(23)18(11-17-8-5-14(3)25-17)26-20(22)21-15-6-9-16(24-4)10-7-15/h5-11,13H,12H2,1-4H3/b18-11-,21-20+.
What are the key properties of (5Z)-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
(5Z)-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 370.47 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1233227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).