(2E,5E)-5-[(4-methoxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one

C14H11N3O2S2 — CID 135783302

IUPAC(2E,5E)-5-[(4-methoxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2/S/C(=N/c3nccs3)NC2=O)cc1
InChIInChI=1S/C14H11N3O2S2/c1-19-10-4-2-9(3-5-10)8-11-12(18)16-14(21-11)17-13-15-6-7-20-13/h2-8H,1H3,(H,15,16,17,18)/b11-8+
InChIKeyVFGDMNZKSPCGCZ-DHZHZOJOSA-N
MW317.40 g/mol
LogP3.04
Rot. Bonds3

About (2E,5E)-5-[(4-methoxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one

(2E,5E)-5-[(4-methoxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one (PubChem CID 135783302) has the molecular formula C14H11N3O2S2 and a molecular weight of 317.40 g/mol. Its IUPAC name is (2E,5E)-5-[(4-methoxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5E)-5-[(4-methoxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
PubChem CID135783302
Molecular FormulaC14H11N3O2S2
Molecular Weight317.40 g/mol
Exact Mass317.03
IUPAC Name(2E,5E)-5-[(4-methoxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2/S/C(=N/c3nccs3)NC2=O)cc1
InChIInChI=1S/C14H11N3O2S2/c1-19-10-4-2-9(3-5-10)8-11-12(18)16-14(21-11)17-13-15-6-7-20-13/h2-8H,1H3,(H,15,16,17,18)/b11-8+
InChIKeyVFGDMNZKSPCGCZ-DHZHZOJOSA-N
XLogP3.04
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 (2E,5E)-5-[(4-methoxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5E)-5-[(4-methoxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one (CID 135783302) is (2E,5E)-5-[(4-methoxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5E)-5-[(4-methoxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5E)-5-[(4-methoxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one is COc1ccc(/C=C2/S/C(=N/c3nccs3)NC2=O)cc1.
What is the InChIKey of (2E,5E)-5-[(4-methoxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The InChIKey is VFGDMNZKSPCGCZ-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H11N3O2S2/c1-19-10-4-2-9(3-5-10)8-11-12(18)16-14(21-11)17-13-15-6-7-20-13/h2-8H,1H3,(H,15,16,17,18)/b11-8+.
What are the key properties of (2E,5E)-5-[(4-methoxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
(2E,5E)-5-[(4-methoxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one has a molecular weight of 317.40 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-5-[(4-methoxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135783302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).