(5E)-5-decylidene-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-thiazolidine-2,4-dione

C24H33N3O2S2 — CID 18936652

IUPAC(5E)-5-decylidene-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-thiazolidine-2,4-dione
SMILESCCCCCCCCC/C=C1/SC(=O)N(CCCCSc2cccc3nccn23)C1=O
InChIInChI=1S/C24H33N3O2S2/c1-2-3-4-5-6-7-8-9-13-20-23(28)27(24(29)31-20)17-10-11-19-30-22-15-12-14-21-25-16-18-26(21)22/h12-16,18H,2-11,17,19H2,1H3/b20-13+
InChIKeyUWMBLFFOFDYKAY-DEDYPNTBSA-N
MW459.68 g/mol
LogP6.93
Rot. Bonds14

About (5E)-5-decylidene-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-thiazolidine-2,4-dione

(5E)-5-decylidene-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-thiazolidine-2,4-dione (PubChem CID 18936652) has the molecular formula C24H33N3O2S2 and a molecular weight of 459.68 g/mol. Its IUPAC name is (5E)-5-decylidene-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-decylidene-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-thiazolidine-2,4-dione
PubChem CID18936652
Molecular FormulaC24H33N3O2S2
Molecular Weight459.68 g/mol
Exact Mass459.20
IUPAC Name(5E)-5-decylidene-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-thiazolidine-2,4-dione
SMILESCCCCCCCCC/C=C1/SC(=O)N(CCCCSc2cccc3nccn23)C1=O
InChIInChI=1S/C24H33N3O2S2/c1-2-3-4-5-6-7-8-9-13-20-23(28)27(24(29)31-20)17-10-11-19-30-22-15-12-14-21-25-16-18-26(21)22/h12-16,18H,2-11,17,19H2,1H3/b20-13+
InChIKeyUWMBLFFOFDYKAY-DEDYPNTBSA-N
XLogP6.93
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.68
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (5E)-5-decylidene-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-decylidene-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-thiazolidine-2,4-dione (CID 18936652) is (5E)-5-decylidene-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-decylidene-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-decylidene-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-thiazolidine-2,4-dione is CCCCCCCCC/C=C1/SC(=O)N(CCCCSc2cccc3nccn23)C1=O.
What is the InChIKey of (5E)-5-decylidene-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is UWMBLFFOFDYKAY-DEDYPNTBSA-N. The full InChI is InChI=1S/C24H33N3O2S2/c1-2-3-4-5-6-7-8-9-13-20-23(28)27(24(29)31-20)17-10-11-19-30-22-15-12-14-21-25-16-18-26(21)22/h12-16,18H,2-11,17,19H2,1H3/b20-13+.
What are the key properties of (5E)-5-decylidene-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-thiazolidine-2,4-dione?
(5E)-5-decylidene-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 459.68 g/mol, XLogP of 6.93, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-decylidene-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18936652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).