5-butylidene-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)-1,3-thiazolidine-2,4-dione

C16H17N3O2S2 — CID 57121133

IUPAC5-butylidene-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)-1,3-thiazolidine-2,4-dione
SMILESCCCC=C1SC(=O)N(CCSc2cccc3nccn23)C1=O
InChIInChI=1S/C16H17N3O2S2/c1-2-3-5-12-15(20)19(16(21)23-12)10-11-22-14-7-4-6-13-17-8-9-18(13)14/h4-9H,2-3,10-11H2,1H3
InChIKeyLKUZYWHGVYZPAH-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.81
Rot. Bonds6

About 5-butylidene-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)-1,3-thiazolidine-2,4-dione

5-butylidene-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)-1,3-thiazolidine-2,4-dione (PubChem CID 57121133) has the molecular formula C16H17N3O2S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 5-butylidene-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-butylidene-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)-1,3-thiazolidine-2,4-dione
PubChem CID57121133
Molecular FormulaC16H17N3O2S2
Molecular Weight347.46 g/mol
Exact Mass347.08
IUPAC Name5-butylidene-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)-1,3-thiazolidine-2,4-dione
SMILESCCCC=C1SC(=O)N(CCSc2cccc3nccn23)C1=O
InChIInChI=1S/C16H17N3O2S2/c1-2-3-5-12-15(20)19(16(21)23-12)10-11-22-14-7-4-6-13-17-8-9-18(13)14/h4-9H,2-3,10-11H2,1H3
InChIKeyLKUZYWHGVYZPAH-UHFFFAOYSA-N
XLogP3.81
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(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
(5E)-5-hexylidene-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-thiazolidine-2,4-dione;hydrochloride
CID 18936705
5-(ethylsulfanylmethylidene)-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-thiazolidine-2,4-dione;hydrochloride
CID 73472911
5-butylidene-3-(4-imidazo[1,2-c]pyrimidin-5-ylsulfanylbutyl)-1,3-thiazolidine-2,4-dione
CID 57015719
3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 57227886
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
3-[4-(3-bromoimidazo[1,2-a]pyridin-5-yl)sulfanylbutyl]-5-butylidene-1,3-thiazolidine-2,4-dione;hydrochloride
CID 73472890
5-butylidene-3-[4-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-5-yl]sulfanylbutyl]-1,3-thiazolidine-2,4-dione;dihydrochloride
CID 73472906
(5E)-3-(4-imidazo[1,2-a]pyridin-5-yloxybutyl)-5-(3-phenylpropylidene)-1,3-thiazolidine-2,4-dione
CID 18936651
(5Z)-5-ethylidene-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-oxazolidine-2,4-dione;hydrochloride
CID 70202595

Frequently Asked Questions

What is the IUPAC name of 5-butylidene-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-butylidene-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)-1,3-thiazolidine-2,4-dione (CID 57121133) is 5-butylidene-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-butylidene-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-butylidene-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)-1,3-thiazolidine-2,4-dione is CCCC=C1SC(=O)N(CCSc2cccc3nccn23)C1=O.
What is the InChIKey of 5-butylidene-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is LKUZYWHGVYZPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S2/c1-2-3-5-12-15(20)19(16(21)23-12)10-11-22-14-7-4-6-13-17-8-9-18(13)14/h4-9H,2-3,10-11H2,1H3.
What are the key properties of 5-butylidene-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)-1,3-thiazolidine-2,4-dione?
5-butylidene-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 347.46 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylidene-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 57121133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).