(5E)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one

C18H18N4O2S2 — CID 7559769

About (5E)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one

(5E)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 7559769) has the molecular formula C18H18N4O2S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is (5E)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5E)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
• PubChem CID: 7559769
• Molecular Formula: C18H18N4O2S2
• Molecular Weight: 386.50 g/mol
• Exact Mass: 386.09
• IUPAC Name: (5E)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
• SMILES: C=CCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=Nc1nnc(CC)s1
• InChI: InChI=1S/C18H18N4O2S2/c1-4-10-22-16(23)14(11-12-6-8-13(24-3)9-7-12)25-18(22)19-17-21-20-15(5-2)26-17/h4,6-9,11H,1,5,10H2,2-3H3/b14-11+,19-18?
• InChIKey: HUEAKWBCYMMJMJ-DXMOEDQGSA-N
• XLogP: 3.90
• TPSA: 67.68 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.50
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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'}

Frequently Asked Questions

What is the IUPAC name of (5E)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?

The IUPAC name of (5E)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one (CID 7559769) is (5E)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one.

What is the SMILES notation for (5E)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?

The canonical SMILES for (5E)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one is C=CCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=Nc1nnc(CC)s1.

What is the InChIKey of (5E)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?

The InChIKey is HUEAKWBCYMMJMJ-DXMOEDQGSA-N. The full InChI is InChI=1S/C18H18N4O2S2/c1-4-10-22-16(23)14(11-12-6-8-13(24-3)9-7-12)25-18(22)19-17-21-20-15(5-2)26-17/h4,6-9,11H,1,5,10H2,2-3H3/b14-11+,19-18?.

What are the key properties of (5E)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?

(5E)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 386.50 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)imino]-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 7559769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).