methyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate

C21H26N6O3S2Si — CID 59503571

IUPACmethyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate
SMILESCOC(=O)c1cc(N(COCC[Si](C)(C)C)c2nc(C)cn3c(-c4nccs4)cnc23)sn1
InChIInChI=1S/C21H26N6O3S2Si/c1-14-12-26-16(20-22-6-8-31-20)11-23-18(26)19(24-14)27(13-30-7-9-33(3,4)5)17-10-15(25-32-17)21(28)29-2/h6,8,10-12H,7,9,13H2,1-5H3
InChIKeyAXFDEFCDGFTPHB-UHFFFAOYSA-N
MW502.70 g/mol
LogP4.85
Rot. Bonds9

About methyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate

methyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate (PubChem CID 59503571) has the molecular formula C21H26N6O3S2Si and a molecular weight of 502.70 g/mol. Its IUPAC name is methyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate
PubChem CID59503571
Molecular FormulaC21H26N6O3S2Si
Molecular Weight502.70 g/mol
Exact Mass502.13
IUPAC Namemethyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate
SMILESCOC(=O)c1cc(N(COCC[Si](C)(C)C)c2nc(C)cn3c(-c4nccs4)cnc23)sn1
InChIInChI=1S/C21H26N6O3S2Si/c1-14-12-26-16(20-22-6-8-31-20)11-23-18(26)19(24-14)27(13-30-7-9-33(3,4)5)17-10-15(25-32-17)21(28)29-2/h6,8,10-12H,7,9,13H2,1-5H3
InChIKeyAXFDEFCDGFTPHB-UHFFFAOYSA-N
XLogP4.85
TPSA94.74 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.70
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate?
The IUPAC name of methyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate (CID 59503571) is methyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate.
What is the SMILES notation for methyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate?
The canonical SMILES for methyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate is COC(=O)c1cc(N(COCC[Si](C)(C)C)c2nc(C)cn3c(-c4nccs4)cnc23)sn1.
What is the InChIKey of methyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate?
The InChIKey is AXFDEFCDGFTPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3S2Si/c1-14-12-26-16(20-22-6-8-31-20)11-23-18(26)19(24-14)27(13-30-7-9-33(3,4)5)17-10-15(25-32-17)21(28)29-2/h6,8,10-12H,7,9,13H2,1-5H3.
What are the key properties of methyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate?
methyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate has a molecular weight of 502.70 g/mol, XLogP of 4.85, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazole-3-carboxylate is sourced from PubChem (CID 59503571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).