(5Z)-5-[1-(4-aminophenyl)ethylidene]-3-cyclohexyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one

C22H24N4OS — CID 18842637

IUPAC(5Z)-5-[1-(4-aminophenyl)ethylidene]-3-cyclohexyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESC/C(=C1/S/C(=N\c2cccnc2)N(C2CCCCC2)C1=O)c1ccc(N)cc1
InChIInChI=1S/C22H24N4OS/c1-15(16-9-11-17(23)12-10-16)20-21(27)26(19-7-3-2-4-8-19)22(28-20)25-18-6-5-13-24-14-18/h5-6,9-14,19H,2-4,7-8,23H2,1H3/b20-15-,25-22-
InChIKeyXLALKMPRCAZVAS-YWNZOVFCSA-N
MW392.53 g/mol
LogP4.99
Rot. Bonds3

About (5Z)-5-[1-(4-aminophenyl)ethylidene]-3-cyclohexyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one

(5Z)-5-[1-(4-aminophenyl)ethylidene]-3-cyclohexyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (PubChem CID 18842637) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is (5Z)-5-[1-(4-aminophenyl)ethylidene]-3-cyclohexyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[1-(4-aminophenyl)ethylidene]-3-cyclohexyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
PubChem CID18842637
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC Name(5Z)-5-[1-(4-aminophenyl)ethylidene]-3-cyclohexyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESC/C(=C1/S/C(=N\c2cccnc2)N(C2CCCCC2)C1=O)c1ccc(N)cc1
InChIInChI=1S/C22H24N4OS/c1-15(16-9-11-17(23)12-10-16)20-21(27)26(19-7-3-2-4-8-19)22(28-20)25-18-6-5-13-24-14-18/h5-6,9-14,19H,2-4,7-8,23H2,1H3/b20-15-,25-22-
InChIKeyXLALKMPRCAZVAS-YWNZOVFCSA-N
XLogP4.99
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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-[1-(4-aminophenyl)ethylidene]-3-cyclohexyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[1-(4-aminophenyl)ethylidene]-3-cyclohexyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (CID 18842637) is (5Z)-5-[1-(4-aminophenyl)ethylidene]-3-cyclohexyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[1-(4-aminophenyl)ethylidene]-3-cyclohexyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[1-(4-aminophenyl)ethylidene]-3-cyclohexyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is C/C(=C1/S/C(=N\c2cccnc2)N(C2CCCCC2)C1=O)c1ccc(N)cc1.
What is the InChIKey of (5Z)-5-[1-(4-aminophenyl)ethylidene]-3-cyclohexyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The InChIKey is XLALKMPRCAZVAS-YWNZOVFCSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-15(16-9-11-17(23)12-10-16)20-21(27)26(19-7-3-2-4-8-19)22(28-20)25-18-6-5-13-24-14-18/h5-6,9-14,19H,2-4,7-8,23H2,1H3/b20-15-,25-22-.
What are the key properties of (5Z)-5-[1-(4-aminophenyl)ethylidene]-3-cyclohexyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
(5Z)-5-[1-(4-aminophenyl)ethylidene]-3-cyclohexyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one has a molecular weight of 392.53 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[1-(4-aminophenyl)ethylidene]-3-cyclohexyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 18842637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).