(5E)-3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-pentylidene-1,3-thiazolidine-2,4-dione

C19H23N3O3S — CID 18936792

IUPAC(5E)-3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-pentylidene-1,3-thiazolidine-2,4-dione
SMILESCCCC/C=C1/SC(=O)N(CCCCOc2cccn3ccnc23)C1=O
InChIInChI=1S/C19H23N3O3S/c1-2-3-4-9-16-18(23)22(19(24)26-16)12-5-6-14-25-15-8-7-11-21-13-10-20-17(15)21/h7-11,13H,2-6,12,14H2,1H3/b16-9+
InChIKeyKIDCEPIRKMWDMN-CXUHLZMHSA-N
MW373.48 g/mol
LogP4.26
Rot. Bonds9

About (5E)-3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-pentylidene-1,3-thiazolidine-2,4-dione

(5E)-3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-pentylidene-1,3-thiazolidine-2,4-dione (PubChem CID 18936792) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is (5E)-3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-pentylidene-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-pentylidene-1,3-thiazolidine-2,4-dione
PubChem CID18936792
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name(5E)-3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-pentylidene-1,3-thiazolidine-2,4-dione
SMILESCCCC/C=C1/SC(=O)N(CCCCOc2cccn3ccnc23)C1=O
InChIInChI=1S/C19H23N3O3S/c1-2-3-4-9-16-18(23)22(19(24)26-16)12-5-6-14-25-15-8-7-11-21-13-10-20-17(15)21/h7-11,13H,2-6,12,14H2,1H3/b16-9+
InChIKeyKIDCEPIRKMWDMN-CXUHLZMHSA-N
XLogP4.26
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.26
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-(3-imidazo[1,2-a]pyridin-8-yloxypropyl)-1,3-thiazolidine-2,4-dione;hydrochloride
CID 18936831
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-butylidene-3-[4-(2-methylimidazo[1,2-a]pyridin-8-yl)oxybutyl]-1,3-thiazolidine-2,4-dione
CID 18936750
5-butylidene-3-[4-(2-methylimidazo[1,2-a]pyridin-8-yl)oxybutyl]-1,3-thiazolidine-2,4-dione
CID 57040647
(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
5-butylidene-3-(4-imidazo[1,2-c]pyrimidin-5-ylsulfanylbutyl)-1,3-thiazolidine-2,4-dione
CID 57015719
(5Z)-3-butyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18838830
2-[(5Z)-2,4-dioxo-5-[3-(4-undecoxyphenyl)propylidene]-1,3-thiazolidin-3-yl]ethylazanium
CID 140663007
(5Z)-3-butyl-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126063672
3-[(4-methylphenyl)methyl]-5-pentylidene-1,3-thiazolidine-2,4-dione
CID 173222057
ethyl 2-[2-[(Z)-(3-butyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetate
CID 2177958

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-pentylidene-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-pentylidene-1,3-thiazolidine-2,4-dione (CID 18936792) is (5E)-3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-pentylidene-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-pentylidene-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-pentylidene-1,3-thiazolidine-2,4-dione is CCCC/C=C1/SC(=O)N(CCCCOc2cccn3ccnc23)C1=O.
What is the InChIKey of (5E)-3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-pentylidene-1,3-thiazolidine-2,4-dione?
The InChIKey is KIDCEPIRKMWDMN-CXUHLZMHSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-2-3-4-9-16-18(23)22(19(24)26-16)12-5-6-14-25-15-8-7-11-21-13-10-20-17(15)21/h7-11,13H,2-6,12,14H2,1H3/b16-9+.
What are the key properties of (5E)-3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-pentylidene-1,3-thiazolidine-2,4-dione?
(5E)-3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-pentylidene-1,3-thiazolidine-2,4-dione has a molecular weight of 373.48 g/mol, XLogP of 4.26, 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-8-yloxybutyl)-5-pentylidene-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18936792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).