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

C23H23N3O3S — CID 18936651

IUPAC(5E)-3-(4-imidazo[1,2-a]pyridin-5-yloxybutyl)-5-(3-phenylpropylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/CCc2ccccc2)C(=O)N1CCCCOc1cccc2nccn12
InChIInChI=1S/C23H23N3O3S/c27-22-19(11-6-10-18-8-2-1-3-9-18)30-23(28)26(22)15-4-5-17-29-21-13-7-12-20-24-14-16-25(20)21/h1-3,7-9,11-14,16H,4-6,10,15,17H2/b19-11+
InChIKeyNWFWIORYJYLOTM-YBFXNURJSA-N
MW421.52 g/mol
LogP4.71
Rot. Bonds9

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

(5E)-3-(4-imidazo[1,2-a]pyridin-5-yloxybutyl)-5-(3-phenylpropylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 18936651) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is (5E)-3-(4-imidazo[1,2-a]pyridin-5-yloxybutyl)-5-(3-phenylpropylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-(4-imidazo[1,2-a]pyridin-5-yloxybutyl)-5-(3-phenylpropylidene)-1,3-thiazolidine-2,4-dione
PubChem CID18936651
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name(5E)-3-(4-imidazo[1,2-a]pyridin-5-yloxybutyl)-5-(3-phenylpropylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/CCc2ccccc2)C(=O)N1CCCCOc1cccc2nccn12
InChIInChI=1S/C23H23N3O3S/c27-22-19(11-6-10-18-8-2-1-3-9-18)30-23(28)26(22)15-4-5-17-29-21-13-7-12-20-24-14-16-25(20)21/h1-3,7-9,11-14,16H,4-6,10,15,17H2/b19-11+
InChIKeyNWFWIORYJYLOTM-YBFXNURJSA-N
XLogP4.71
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.71
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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Related Compounds

3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-(3-pyridin-3-ylpropylidene)-1,3-thiazolidine-2,4-dione;dihydrochloride
CID 73472920
(5E)-5-hexylidene-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-thiazolidine-2,4-dione;hydrochloride
CID 18936705
5-butylidene-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)-1,3-thiazolidine-2,4-dione
CID 57121133
5-butylidene-3-(4-imidazo[1,2-c]pyrimidin-5-ylsulfanylbutyl)-1,3-thiazolidine-2,4-dione
CID 57015719
(5E)-3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-pentylidene-1,3-thiazolidine-2,4-dione
CID 18936792
3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-5-(3-phenylpropylidene)-1,3-oxazolidine-2,4-dione
CID 57260764
(5E)-5-butylidene-3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)-1,3-thiazolidine-2,4-dione
CID 18936822
5-butylidene-3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)-1,3-thiazolidine-2,4-dione
CID 57289462
3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-5-(pyridin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione;hydrochloride
CID 86753350
(5Z)-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-5-(piperidin-1-ylmethylidene)-1,3-thiazolidine-2,4-dione;dihydrochloride
CID 18936883
5-(ethylsulfanylmethylidene)-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-thiazolidine-2,4-dione;hydrochloride
CID 73472911
3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 57227886

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(4-imidazo[1,2-a]pyridin-5-yloxybutyl)-5-(3-phenylpropylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-3-(4-imidazo[1,2-a]pyridin-5-yloxybutyl)-5-(3-phenylpropylidene)-1,3-thiazolidine-2,4-dione (CID 18936651) is (5E)-3-(4-imidazo[1,2-a]pyridin-5-yloxybutyl)-5-(3-phenylpropylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-(4-imidazo[1,2-a]pyridin-5-yloxybutyl)-5-(3-phenylpropylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-3-(4-imidazo[1,2-a]pyridin-5-yloxybutyl)-5-(3-phenylpropylidene)-1,3-thiazolidine-2,4-dione is O=C1S/C(=C/CCc2ccccc2)C(=O)N1CCCCOc1cccc2nccn12.
What is the InChIKey of (5E)-3-(4-imidazo[1,2-a]pyridin-5-yloxybutyl)-5-(3-phenylpropylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is NWFWIORYJYLOTM-YBFXNURJSA-N. The full InChI is InChI=1S/C23H23N3O3S/c27-22-19(11-6-10-18-8-2-1-3-9-18)30-23(28)26(22)15-4-5-17-29-21-13-7-12-20-24-14-16-25(20)21/h1-3,7-9,11-14,16H,4-6,10,15,17H2/b19-11+.
What are the key properties of (5E)-3-(4-imidazo[1,2-a]pyridin-5-yloxybutyl)-5-(3-phenylpropylidene)-1,3-thiazolidine-2,4-dione?
(5E)-3-(4-imidazo[1,2-a]pyridin-5-yloxybutyl)-5-(3-phenylpropylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 421.52 g/mol, XLogP of 4.71, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(4-imidazo[1,2-a]pyridin-5-yloxybutyl)-5-(3-phenylpropylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18936651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).