(5Z)-3-cyclopenta-1,3-dien-1-yloxy-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

C21H16N2O3S — CID 146012216

IUPAC(5Z)-3-cyclopenta-1,3-dien-1-yloxy-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(O)cc2)S/C(=N\c2ccccc2)N1OC1=CC=CC1
InChIInChI=1S/C21H16N2O3S/c24-17-12-10-15(11-13-17)14-19-20(25)23(26-18-8-4-5-9-18)21(27-19)22-16-6-2-1-3-7-16/h1-8,10-14,24H,9H2/b19-14-,22-21-
InChIKeyMCOVZJSNMNIWOQ-IECUCWQJSA-N
MW376.44 g/mol
LogP4.77
Rot. Bonds4

About (5Z)-3-cyclopenta-1,3-dien-1-yloxy-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

(5Z)-3-cyclopenta-1,3-dien-1-yloxy-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 146012216) has the molecular formula C21H16N2O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is (5Z)-3-cyclopenta-1,3-dien-1-yloxy-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-cyclopenta-1,3-dien-1-yloxy-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID146012216
Molecular FormulaC21H16N2O3S
Molecular Weight376.44 g/mol
Exact Mass376.09
IUPAC Name(5Z)-3-cyclopenta-1,3-dien-1-yloxy-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(O)cc2)S/C(=N\c2ccccc2)N1OC1=CC=CC1
InChIInChI=1S/C21H16N2O3S/c24-17-12-10-15(11-13-17)14-19-20(25)23(26-18-8-4-5-9-18)21(27-19)22-16-6-2-1-3-7-16/h1-8,10-14,24H,9H2/b19-14-,22-21-
InChIKeyMCOVZJSNMNIWOQ-IECUCWQJSA-N
XLogP4.77
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.77
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)-3-cyclopenta-1,3-dien-1-yloxy-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-cyclopenta-1,3-dien-1-yloxy-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 146012216) is (5Z)-3-cyclopenta-1,3-dien-1-yloxy-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-cyclopenta-1,3-dien-1-yloxy-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-cyclopenta-1,3-dien-1-yloxy-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccc(O)cc2)S/C(=N\c2ccccc2)N1OC1=CC=CC1.
What is the InChIKey of (5Z)-3-cyclopenta-1,3-dien-1-yloxy-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is MCOVZJSNMNIWOQ-IECUCWQJSA-N. The full InChI is InChI=1S/C21H16N2O3S/c24-17-12-10-15(11-13-17)14-19-20(25)23(26-18-8-4-5-9-18)21(27-19)22-16-6-2-1-3-7-16/h1-8,10-14,24H,9H2/b19-14-,22-21-.
What are the key properties of (5Z)-3-cyclopenta-1,3-dien-1-yloxy-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-3-cyclopenta-1,3-dien-1-yloxy-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 376.44 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-cyclopenta-1,3-dien-1-yloxy-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 146012216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).