ethyl (2Z)-2-[3-(2-imidazo[1,5-a]pyridin-3-ylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate

C16H17N3O3S2 — CID 17464071

IUPACethyl (2Z)-2-[3-(2-imidazo[1,5-a]pyridin-3-ylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=C1\SCC(=O)N1CCSc1ncc2ccccn12
InChIInChI=1S/C16H17N3O3S2/c1-2-22-15(21)9-14-19(13(20)11-24-14)7-8-23-16-17-10-12-5-3-4-6-18(12)16/h3-6,9-10H,2,7-8,11H2,1H3/b14-9-
InChIKeyQRJICGXCPOREPB-ZROIWOOFSA-N
MW363.46 g/mol
LogP2.41
Rot. Bonds6

About ethyl (2Z)-2-[3-(2-imidazo[1,5-a]pyridin-3-ylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate

ethyl (2Z)-2-[3-(2-imidazo[1,5-a]pyridin-3-ylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 17464071) has the molecular formula C16H17N3O3S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is ethyl (2Z)-2-[3-(2-imidazo[1,5-a]pyridin-3-ylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[3-(2-imidazo[1,5-a]pyridin-3-ylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
PubChem CID17464071
Molecular FormulaC16H17N3O3S2
Molecular Weight363.46 g/mol
Exact Mass363.07
IUPAC Nameethyl (2Z)-2-[3-(2-imidazo[1,5-a]pyridin-3-ylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=C1\SCC(=O)N1CCSc1ncc2ccccn12
InChIInChI=1S/C16H17N3O3S2/c1-2-22-15(21)9-14-19(13(20)11-24-14)7-8-23-16-17-10-12-5-3-4-6-18(12)16/h3-6,9-10H,2,7-8,11H2,1H3/b14-9-
InChIKeyQRJICGXCPOREPB-ZROIWOOFSA-N
XLogP2.41
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl (2Z)-2-[3-(2-imidazo[1,5-a]pyridin-3-ylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2Z)-2-[4-oxo-3-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]-1,3-thiazolidin-2-ylidene]acetate
CID 7503851
ethyl (2Z)-2-[3-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 8538231
ethyl (2Z)-2-[3-[2-(4-methoxyphenyl)sulfanylethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 9063402
ethyl (2E)-2-[3-[2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 92932073
ethyl (2Z)-2-[3-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 17431498
ethyl (2Z)-2-[3-[2-(4-acetamidophenyl)sulfanylethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 8948528
ethyl (2Z)-2-[3-[(2R)-2-hydroxy-2-phenylethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2081040
ethyl (2E)-2-[3-[2-(benzhydrylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2115461
2-[(2E)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl 2-methylsulfanylbenzoate
CID 92934188
2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl 2-naphthalen-1-ylacetate
CID 7503846
2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 7503695
ethyl (2E)-2-[4-oxo-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazolidin-2-ylidene]acetate
CID 47004370

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[3-(2-imidazo[1,5-a]pyridin-3-ylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name of ethyl (2Z)-2-[3-(2-imidazo[1,5-a]pyridin-3-ylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 17464071) is ethyl (2Z)-2-[3-(2-imidazo[1,5-a]pyridin-3-ylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-[3-(2-imidazo[1,5-a]pyridin-3-ylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-[3-(2-imidazo[1,5-a]pyridin-3-ylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)/C=C1\SCC(=O)N1CCSc1ncc2ccccn12.
What is the InChIKey of ethyl (2Z)-2-[3-(2-imidazo[1,5-a]pyridin-3-ylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is QRJICGXCPOREPB-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H17N3O3S2/c1-2-22-15(21)9-14-19(13(20)11-24-14)7-8-23-16-17-10-12-5-3-4-6-18(12)16/h3-6,9-10H,2,7-8,11H2,1H3/b14-9-.
What are the key properties of ethyl (2Z)-2-[3-(2-imidazo[1,5-a]pyridin-3-ylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
ethyl (2Z)-2-[3-(2-imidazo[1,5-a]pyridin-3-ylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 363.46 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[3-(2-imidazo[1,5-a]pyridin-3-ylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 17464071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).