2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[6-[[2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetyl]amino]hexyl]acetamide

C16H18N4O6S2 — CID 74665321

IUPAC2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[6-[[2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetyl]amino]hexyl]acetamide
SMILESO=C(C=C1SC(=O)NC1=O)NCCCCCCNC(=O)C=C1SC(=O)NC1=O
InChIInChI=1S/C16H18N4O6S2/c21-11(7-9-13(23)19-15(25)27-9)17-5-3-1-2-4-6-18-12(22)8-10-14(24)20-16(26)28-10/h7-8H,1-6H2,(H,17,21)(H,18,22)(H,19,23,25)(H,20,24,26)
InChIKeyMKYKVWUEYSGFGH-UHFFFAOYSA-N
MW426.48 g/mol
LogP0.51
Rot. Bonds9

About 2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[6-[[2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetyl]amino]hexyl]acetamide

2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[6-[[2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetyl]amino]hexyl]acetamide (PubChem CID 74665321) has the molecular formula C16H18N4O6S2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[6-[[2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetyl]amino]hexyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[6-[[2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetyl]amino]hexyl]acetamide
PubChem CID74665321
Molecular FormulaC16H18N4O6S2
Molecular Weight426.48 g/mol
Exact Mass426.07
IUPAC Name2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[6-[[2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetyl]amino]hexyl]acetamide
SMILESO=C(C=C1SC(=O)NC1=O)NCCCCCCNC(=O)C=C1SC(=O)NC1=O
InChIInChI=1S/C16H18N4O6S2/c21-11(7-9-13(23)19-15(25)27-9)17-5-3-1-2-4-6-18-12(22)8-10-14(24)20-16(26)28-10/h7-8H,1-6H2,(H,17,21)(H,18,22)(H,19,23,25)(H,20,24,26)
InChIKeyMKYKVWUEYSGFGH-UHFFFAOYSA-N
XLogP0.51
TPSA150.54 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[6-[[2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetyl]amino]hexyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[6-[[2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetyl]amino]hexyl]acetamide (CID 74665321) is 2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[6-[[2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetyl]amino]hexyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[6-[[2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetyl]amino]hexyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[6-[[2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetyl]amino]hexyl]acetamide is O=C(C=C1SC(=O)NC1=O)NCCCCCCNC(=O)C=C1SC(=O)NC1=O.
What is the InChIKey of 2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[6-[[2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetyl]amino]hexyl]acetamide?
The InChIKey is MKYKVWUEYSGFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O6S2/c21-11(7-9-13(23)19-15(25)27-9)17-5-3-1-2-4-6-18-12(22)8-10-14(24)20-16(26)28-10/h7-8H,1-6H2,(H,17,21)(H,18,22)(H,19,23,25)(H,20,24,26).
What are the key properties of 2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[6-[[2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetyl]amino]hexyl]acetamide?
2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[6-[[2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetyl]amino]hexyl]acetamide has a molecular weight of 426.48 g/mol, XLogP of 0.51, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[6-[[2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetyl]amino]hexyl]acetamide is sourced from PubChem (CID 74665321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).