(5E)-5-butylidene-3-(3-imidazo[1,2-a]pyridin-8-yloxypropyl)-1,3-thiazolidine-2,4-dione;hydrochloride

C17H20ClN3O3S — CID 18936831

IUPAC(5E)-5-butylidene-3-(3-imidazo[1,2-a]pyridin-8-yloxypropyl)-1,3-thiazolidine-2,4-dione;hydrochloride
SMILESCCC/C=C1/SC(=O)N(CCCOc2cccn3ccnc23)C1=O.Cl
InChIInChI=1S/C17H19N3O3S.ClH/c1-2-3-7-14-16(21)20(17(22)24-14)10-5-12-23-13-6-4-9-19-11-8-18-15(13)19;/h4,6-9,11H,2-3,5,10,12H2,1H3;1H/b14-7+;
InChIKeyIGJRKSPUCPTIFL-FJUODKGNSA-N
MW381.89 g/mol
LogP3.90
Rot. Bonds7

About (5E)-5-butylidene-3-(3-imidazo[1,2-a]pyridin-8-yloxypropyl)-1,3-thiazolidine-2,4-dione;hydrochloride

(5E)-5-butylidene-3-(3-imidazo[1,2-a]pyridin-8-yloxypropyl)-1,3-thiazolidine-2,4-dione;hydrochloride (PubChem CID 18936831) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is (5E)-5-butylidene-3-(3-imidazo[1,2-a]pyridin-8-yloxypropyl)-1,3-thiazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name(5E)-5-butylidene-3-(3-imidazo[1,2-a]pyridin-8-yloxypropyl)-1,3-thiazolidine-2,4-dione;hydrochloride
PubChem CID18936831
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC Name(5E)-5-butylidene-3-(3-imidazo[1,2-a]pyridin-8-yloxypropyl)-1,3-thiazolidine-2,4-dione;hydrochloride
SMILESCCC/C=C1/SC(=O)N(CCCOc2cccn3ccnc23)C1=O.Cl
InChIInChI=1S/C17H19N3O3S.ClH/c1-2-3-7-14-16(21)20(17(22)24-14)10-5-12-23-13-6-4-9-19-11-8-18-15(13)19;/h4,6-9,11H,2-3,5,10,12H2,1H3;1H/b14-7+;
InChIKeyIGJRKSPUCPTIFL-FJUODKGNSA-N
XLogP3.90
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 53.90
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)-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
(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
5-butylidene-3-(4-imidazo[1,2-c]pyrimidin-5-ylsulfanylbutyl)-1,3-thiazolidine-2,4-dione
CID 57015719
5-butylidene-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)-1,3-thiazolidine-2,4-dione
CID 57121133
(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-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)-1,3-thiazolidine-2,4-dione
CID 57289462
(5E)-5-butylidene-3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)-1,3-thiazolidine-2,4-dione
CID 18936822
(5Z)-3-(2-aminoethyl)-5-[3-(2-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione;hydrochloride
CID 56969032
3-[4-(3-bromoimidazo[1,2-a]pyridin-5-yl)sulfanylbutyl]-5-butylidene-1,3-thiazolidine-2,4-dione;hydrochloride
CID 73472890

Frequently Asked Questions

What is the IUPAC name of (5E)-5-butylidene-3-(3-imidazo[1,2-a]pyridin-8-yloxypropyl)-1,3-thiazolidine-2,4-dione;hydrochloride?
The IUPAC name of (5E)-5-butylidene-3-(3-imidazo[1,2-a]pyridin-8-yloxypropyl)-1,3-thiazolidine-2,4-dione;hydrochloride (CID 18936831) is (5E)-5-butylidene-3-(3-imidazo[1,2-a]pyridin-8-yloxypropyl)-1,3-thiazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for (5E)-5-butylidene-3-(3-imidazo[1,2-a]pyridin-8-yloxypropyl)-1,3-thiazolidine-2,4-dione;hydrochloride?
The canonical SMILES for (5E)-5-butylidene-3-(3-imidazo[1,2-a]pyridin-8-yloxypropyl)-1,3-thiazolidine-2,4-dione;hydrochloride is CCC/C=C1/SC(=O)N(CCCOc2cccn3ccnc23)C1=O.Cl.
What is the InChIKey of (5E)-5-butylidene-3-(3-imidazo[1,2-a]pyridin-8-yloxypropyl)-1,3-thiazolidine-2,4-dione;hydrochloride?
The InChIKey is IGJRKSPUCPTIFL-FJUODKGNSA-N. The full InChI is InChI=1S/C17H19N3O3S.ClH/c1-2-3-7-14-16(21)20(17(22)24-14)10-5-12-23-13-6-4-9-19-11-8-18-15(13)19;/h4,6-9,11H,2-3,5,10,12H2,1H3;1H/b14-7+;.
What are the key properties of (5E)-5-butylidene-3-(3-imidazo[1,2-a]pyridin-8-yloxypropyl)-1,3-thiazolidine-2,4-dione;hydrochloride?
(5E)-5-butylidene-3-(3-imidazo[1,2-a]pyridin-8-yloxypropyl)-1,3-thiazolidine-2,4-dione;hydrochloride has a molecular weight of 381.89 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-butylidene-3-(3-imidazo[1,2-a]pyridin-8-yloxypropyl)-1,3-thiazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 18936831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).