(2Z,5Z)-3-ethyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one

C29H24N4O2S3 — CID 3094761

About (2Z,5Z)-3-ethyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one

(2Z,5Z)-3-ethyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one (PubChem CID 3094761) has the molecular formula C29H24N4O2S3 and a molecular weight of 556.74 g/mol. Its IUPAC name is (2Z,5Z)-3-ethyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2Z,5Z)-3-ethyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one
• PubChem CID: 3094761
• Molecular Formula: C29H24N4O2S3
• Molecular Weight: 556.74 g/mol
• Exact Mass: 556.11
• IUPAC Name: (2Z,5Z)-3-ethyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one
• SMILES: CCN1/C(=c2/s/c(=C3/C(=O)N(c4ccccc4)C(=S)N3c3ccccc3)n(CC)c2=O)Sc2ccccc21
• InChI: InChI=1S/C29H24N4O2S3/c1-3-30-21-17-11-12-18-22(21)37-28(30)24-26(35)31(4-2)27(38-24)23-25(34)33(20-15-9-6-10-16-20)29(36)32(23)19-13-7-5-8-14-19/h5-18H,3-4H2,1-2H3/b27-23-,28-24-
• InChIKey: JEZLYQOSZHARRD-JTFGNLGHSA-N
• XLogP: 4.57
• TPSA: 48.79 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.74
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-3-ethyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one?

The IUPAC name of (2Z,5Z)-3-ethyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one (CID 3094761) is (2Z,5Z)-3-ethyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one.

What is the SMILES notation for (2Z,5Z)-3-ethyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one?

The canonical SMILES for (2Z,5Z)-3-ethyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one is CCN1/C(=c2/s/c(=C3/C(=O)N(c4ccccc4)C(=S)N3c3ccccc3)n(CC)c2=O)Sc2ccccc21.

What is the InChIKey of (2Z,5Z)-3-ethyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one?

The InChIKey is JEZLYQOSZHARRD-JTFGNLGHSA-N. The full InChI is InChI=1S/C29H24N4O2S3/c1-3-30-21-17-11-12-18-22(21)37-28(30)24-26(35)31(4-2)27(38-24)23-25(34)33(20-15-9-6-10-16-20)29(36)32(23)19-13-7-5-8-14-19/h5-18H,3-4H2,1-2H3/b27-23-,28-24-.

What are the key properties of (2Z,5Z)-3-ethyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one?

(2Z,5Z)-3-ethyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one has a molecular weight of 556.74 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5Z)-3-ethyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-ylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3094761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).