(5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-prop-2-enylimino-1,3-thiazolidin-4-one

C15H16N2O2S — CID 155565051

IUPAC(5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-prop-2-enylimino-1,3-thiazolidin-4-one
SMILESC=CC/N=C1/S/C(=C\c2ccc(OC)cc2)C(=O)N1C
InChIInChI=1S/C15H16N2O2S/c1-4-9-16-15-17(2)14(18)13(20-15)10-11-5-7-12(19-3)8-6-11/h4-8,10H,1,9H2,2-3H3/b13-10-,16-15+
InChIKeySEPDPBHLACAJNJ-IKKSVTPCSA-N
MW288.37 g/mol
LogP2.78
Rot. Bonds4

About (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-prop-2-enylimino-1,3-thiazolidin-4-one

(5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-prop-2-enylimino-1,3-thiazolidin-4-one (PubChem CID 155565051) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-prop-2-enylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-prop-2-enylimino-1,3-thiazolidin-4-one
PubChem CID155565051
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name(5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-prop-2-enylimino-1,3-thiazolidin-4-one
SMILESC=CC/N=C1/S/C(=C\c2ccc(OC)cc2)C(=O)N1C
InChIInChI=1S/C15H16N2O2S/c1-4-9-16-15-17(2)14(18)13(20-15)10-11-5-7-12(19-3)8-6-11/h4-8,10H,1,9H2,2-3H3/b13-10-,16-15+
InChIKeySEPDPBHLACAJNJ-IKKSVTPCSA-N
XLogP2.78
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[(4-methoxyphenyl)methylidene]-3-methyl-2-prop-2-enylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-prop-2-enylimino-1,3-thiazolidin-4-one (CID 155565051) is (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-prop-2-enylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-prop-2-enylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-prop-2-enylimino-1,3-thiazolidin-4-one is C=CC/N=C1/S/C(=C\c2ccc(OC)cc2)C(=O)N1C.
What is the InChIKey of (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-prop-2-enylimino-1,3-thiazolidin-4-one?
The InChIKey is SEPDPBHLACAJNJ-IKKSVTPCSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-4-9-16-15-17(2)14(18)13(20-15)10-11-5-7-12(19-3)8-6-11/h4-8,10H,1,9H2,2-3H3/b13-10-,16-15+.
What are the key properties of (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-prop-2-enylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-prop-2-enylimino-1,3-thiazolidin-4-one has a molecular weight of 288.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-prop-2-enylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 155565051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).