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

C15H15N3O2S2 — CID 18936822

IUPAC(5E)-5-butylidene-3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)-1,3-thiazolidine-2,4-dione
SMILESCCC/C=C1/SC(=O)N(CSc2cccc3nccn23)C1=O
InChIInChI=1S/C15H15N3O2S2/c1-2-3-5-11-14(19)18(15(20)22-11)10-21-13-7-4-6-12-16-8-9-17(12)13/h4-9H,2-3,10H2,1H3/b11-5+
InChIKeyRKJOPAYGRUALDA-VZUCSPMQSA-N
MW333.44 g/mol
LogP3.76
Rot. Bonds5

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

(5E)-5-butylidene-3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)-1,3-thiazolidine-2,4-dione (PubChem CID 18936822) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is (5E)-5-butylidene-3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-butylidene-3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)-1,3-thiazolidine-2,4-dione
PubChem CID18936822
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC Name(5E)-5-butylidene-3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)-1,3-thiazolidine-2,4-dione
SMILESCCC/C=C1/SC(=O)N(CSc2cccc3nccn23)C1=O
InChIInChI=1S/C15H15N3O2S2/c1-2-3-5-11-14(19)18(15(20)22-11)10-21-13-7-4-6-12-16-8-9-17(12)13/h4-9H,2-3,10H2,1H3/b11-5+
InChIKeyRKJOPAYGRUALDA-VZUCSPMQSA-N
XLogP3.76
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.76
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

5-butylidene-3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)-1,3-thiazolidine-2,4-dione
CID 57289462
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
5-butylidene-3-(4-imidazo[1,2-c]pyrimidin-5-ylsulfanylbutyl)-1,3-thiazolidine-2,4-dione
CID 57015719
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
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
(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-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-5-yl]sulfanylbutyl]-1,3-thiazolidine-2,4-dione;dihydrochloride
CID 73472906
(5E)-5-butylidene-3-(3-imidazo[1,2-a]pyridin-8-yloxypropyl)-1,3-thiazolidine-2,4-dione;hydrochloride
CID 18936831

Frequently Asked Questions

What is the IUPAC name of (5E)-5-butylidene-3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-butylidene-3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)-1,3-thiazolidine-2,4-dione (CID 18936822) is (5E)-5-butylidene-3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-butylidene-3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-butylidene-3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)-1,3-thiazolidine-2,4-dione is CCC/C=C1/SC(=O)N(CSc2cccc3nccn23)C1=O.
What is the InChIKey of (5E)-5-butylidene-3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is RKJOPAYGRUALDA-VZUCSPMQSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c1-2-3-5-11-14(19)18(15(20)22-11)10-21-13-7-4-6-12-16-8-9-17(12)13/h4-9H,2-3,10H2,1H3/b11-5+.
What are the key properties of (5E)-5-butylidene-3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)-1,3-thiazolidine-2,4-dione?
(5E)-5-butylidene-3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 333.44 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-butylidene-3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18936822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).