(5Z)-5-[(2-amino-4-pyridinyl)methylidene]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one

C18H18N4OS — CID 134146290

IUPAC(5Z)-5-[(2-amino-4-pyridinyl)methylidene]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one
SMILESCCc1ccc(/N=C2/S/C(=C\c3ccnc(N)c3)C(=O)N2C)cc1
InChIInChI=1S/C18H18N4OS/c1-3-12-4-6-14(7-5-12)21-18-22(2)17(23)15(24-18)10-13-8-9-20-16(19)11-13/h4-11H,3H2,1-2H3,(H2,19,20)/b15-10-,21-18+
InChIKeyQYBSALZKQFIJDX-IWULQAATSA-N
MW338.44 g/mol
LogP3.46
Rot. Bonds3

About (5Z)-5-[(2-amino-4-pyridinyl)methylidene]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one

(5Z)-5-[(2-amino-4-pyridinyl)methylidene]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one (PubChem CID 134146290) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is (5Z)-5-[(2-amino-4-pyridinyl)methylidene]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2-amino-4-pyridinyl)methylidene]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one
PubChem CID134146290
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name(5Z)-5-[(2-amino-4-pyridinyl)methylidene]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one
SMILESCCc1ccc(/N=C2/S/C(=C\c3ccnc(N)c3)C(=O)N2C)cc1
InChIInChI=1S/C18H18N4OS/c1-3-12-4-6-14(7-5-12)21-18-22(2)17(23)15(24-18)10-13-8-9-20-16(19)11-13/h4-11H,3H2,1-2H3,(H2,19,20)/b15-10-,21-18+
InChIKeyQYBSALZKQFIJDX-IWULQAATSA-N
XLogP3.46
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.46
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)-5-[(2-amino-4-pyridinyl)methylidene]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(2-amino-4-pyridinyl)methylidene]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one (CID 134146290) is (5Z)-5-[(2-amino-4-pyridinyl)methylidene]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2-amino-4-pyridinyl)methylidene]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2-amino-4-pyridinyl)methylidene]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one is CCc1ccc(/N=C2/S/C(=C\c3ccnc(N)c3)C(=O)N2C)cc1.
What is the InChIKey of (5Z)-5-[(2-amino-4-pyridinyl)methylidene]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is QYBSALZKQFIJDX-IWULQAATSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-3-12-4-6-14(7-5-12)21-18-22(2)17(23)15(24-18)10-13-8-9-20-16(19)11-13/h4-11H,3H2,1-2H3,(H2,19,20)/b15-10-,21-18+.
What are the key properties of (5Z)-5-[(2-amino-4-pyridinyl)methylidene]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one?
(5Z)-5-[(2-amino-4-pyridinyl)methylidene]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 338.44 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-amino-4-pyridinyl)methylidene]-2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 134146290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).