(5Z)-2-cyclohexylimino-5-[(2-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-4-one

C19H20N2O2S — CID 135875657

IUPAC(5Z)-2-cyclohexylimino-5-[(2-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESC#CCOc1ccccc1/C=C1\S/C(=N/C2CCCCC2)NC1=O
InChIInChI=1S/C19H20N2O2S/c1-2-12-23-16-11-7-6-8-14(16)13-17-18(22)21-19(24-17)20-15-9-4-3-5-10-15/h1,6-8,11,13,15H,3-5,9-10,12H2,(H,20,21,22)/b17-13-
InChIKeyZFODLUANYMWCNS-LGMDPLHJSA-N
MW340.45 g/mol
LogP3.59
Rot. Bonds4

About (5Z)-2-cyclohexylimino-5-[(2-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-cyclohexylimino-5-[(2-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135875657) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is (5Z)-2-cyclohexylimino-5-[(2-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-cyclohexylimino-5-[(2-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135875657
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name(5Z)-2-cyclohexylimino-5-[(2-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESC#CCOc1ccccc1/C=C1\S/C(=N/C2CCCCC2)NC1=O
InChIInChI=1S/C19H20N2O2S/c1-2-12-23-16-11-7-6-8-14(16)13-17-18(22)21-19(24-17)20-15-9-4-3-5-10-15/h1,6-8,11,13,15H,3-5,9-10,12H2,(H,20,21,22)/b17-13-
InChIKeyZFODLUANYMWCNS-LGMDPLHJSA-N
XLogP3.59
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-cyclohexylimino-5-[(2-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-cyclohexylimino-5-[(2-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135875657) is (5Z)-2-cyclohexylimino-5-[(2-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-cyclohexylimino-5-[(2-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-cyclohexylimino-5-[(2-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-4-one is C#CCOc1ccccc1/C=C1\S/C(=N/C2CCCCC2)NC1=O.
What is the InChIKey of (5Z)-2-cyclohexylimino-5-[(2-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is ZFODLUANYMWCNS-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-2-12-23-16-11-7-6-8-14(16)13-17-18(22)21-19(24-17)20-15-9-4-3-5-10-15/h1,6-8,11,13,15H,3-5,9-10,12H2,(H,20,21,22)/b17-13-.
What are the key properties of (5Z)-2-cyclohexylimino-5-[(2-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-cyclohexylimino-5-[(2-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 340.45 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-cyclohexylimino-5-[(2-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135875657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).