5-butylidene-3-[4-(2-methylimidazo[1,2-a]pyridin-8-yl)oxybutyl]-1,3-thiazolidine-2,4-dione

C19H23N3O3S — CID 57040647

IUPAC5-butylidene-3-[4-(2-methylimidazo[1,2-a]pyridin-8-yl)oxybutyl]-1,3-thiazolidine-2,4-dione
SMILESCCCC=C1SC(=O)N(CCCCOc2cccn3cc(C)nc23)C1=O
InChIInChI=1S/C19H23N3O3S/c1-3-4-9-16-18(23)22(19(24)26-16)11-5-6-12-25-15-8-7-10-21-13-14(2)20-17(15)21/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeyPWBNZOQAOYSHCP-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.18
Rot. Bonds8

About 5-butylidene-3-[4-(2-methylimidazo[1,2-a]pyridin-8-yl)oxybutyl]-1,3-thiazolidine-2,4-dione

5-butylidene-3-[4-(2-methylimidazo[1,2-a]pyridin-8-yl)oxybutyl]-1,3-thiazolidine-2,4-dione (PubChem CID 57040647) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 5-butylidene-3-[4-(2-methylimidazo[1,2-a]pyridin-8-yl)oxybutyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-butylidene-3-[4-(2-methylimidazo[1,2-a]pyridin-8-yl)oxybutyl]-1,3-thiazolidine-2,4-dione
PubChem CID57040647
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name5-butylidene-3-[4-(2-methylimidazo[1,2-a]pyridin-8-yl)oxybutyl]-1,3-thiazolidine-2,4-dione
SMILESCCCC=C1SC(=O)N(CCCCOc2cccn3cc(C)nc23)C1=O
InChIInChI=1S/C19H23N3O3S/c1-3-4-9-16-18(23)22(19(24)26-16)11-5-6-12-25-15-8-7-10-21-13-14(2)20-17(15)21/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeyPWBNZOQAOYSHCP-UHFFFAOYSA-N
XLogP4.18
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.18
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

(5E)-5-butylidene-3-[4-(2-methylimidazo[1,2-a]pyridin-8-yl)oxybutyl]-1,3-thiazolidine-2,4-dione
CID 18936750
(5E)-5-butylidene-3-(3-imidazo[1,2-a]pyridin-8-yloxypropyl)-1,3-thiazolidine-2,4-dione;hydrochloride
CID 18936831
(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-8-yloxybutyl)-5-(3-pyridin-3-ylpropylidene)-1,3-thiazolidine-2,4-dione;dihydrochloride
CID 73472920
4-(2-methylimidazo[1,2-a]pyridin-8-yl)oxybutan-1-amine
CID 82146556
2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethanol
CID 82147143
5-butylidene-3-(4-imidazo[1,2-c]pyrimidin-5-ylsulfanylbutyl)-1,3-thiazolidine-2,4-dione
CID 57015719
4-[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethoxy]aniline
CID 82147716
3-[4-(3-bromoimidazo[1,2-a]pyridin-5-yl)sulfanylbutyl]-5-butylidene-1,3-thiazolidine-2,4-dione;hydrochloride
CID 73472890
ethyl 2-[2-[(Z)-(3-butyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetate
CID 2177958
(5E)-5-hexylidene-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-thiazolidine-2,4-dione;hydrochloride
CID 18936705
(5E)-3-(4-imidazo[1,2-a]pyridin-5-yloxybutyl)-5-(3-phenylpropylidene)-1,3-thiazolidine-2,4-dione
CID 18936651

Frequently Asked Questions

What is the IUPAC name of 5-butylidene-3-[4-(2-methylimidazo[1,2-a]pyridin-8-yl)oxybutyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-butylidene-3-[4-(2-methylimidazo[1,2-a]pyridin-8-yl)oxybutyl]-1,3-thiazolidine-2,4-dione (CID 57040647) is 5-butylidene-3-[4-(2-methylimidazo[1,2-a]pyridin-8-yl)oxybutyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-butylidene-3-[4-(2-methylimidazo[1,2-a]pyridin-8-yl)oxybutyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-butylidene-3-[4-(2-methylimidazo[1,2-a]pyridin-8-yl)oxybutyl]-1,3-thiazolidine-2,4-dione is CCCC=C1SC(=O)N(CCCCOc2cccn3cc(C)nc23)C1=O.
What is the InChIKey of 5-butylidene-3-[4-(2-methylimidazo[1,2-a]pyridin-8-yl)oxybutyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is PWBNZOQAOYSHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-3-4-9-16-18(23)22(19(24)26-16)11-5-6-12-25-15-8-7-10-21-13-14(2)20-17(15)21/h7-10,13H,3-6,11-12H2,1-2H3.
What are the key properties of 5-butylidene-3-[4-(2-methylimidazo[1,2-a]pyridin-8-yl)oxybutyl]-1,3-thiazolidine-2,4-dione?
5-butylidene-3-[4-(2-methylimidazo[1,2-a]pyridin-8-yl)oxybutyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 373.48 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylidene-3-[4-(2-methylimidazo[1,2-a]pyridin-8-yl)oxybutyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 57040647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).