ethyl (2S)-2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]propanoate

C16H15N3O4S — CID 6404336

IUPACethyl (2S)-2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]propanoate
SMILESCCOC(=O)[C@H](C)Sc1nnc(-c2ccco2)c(-c2ccco2)n1
InChIInChI=1S/C16H15N3O4S/c1-3-21-15(20)10(2)24-16-17-13(11-6-4-8-22-11)14(18-19-16)12-7-5-9-23-12/h4-10H,3H2,1-2H3/t10-/m0/s1
InChIKeyPFIFEXOXAXFFQR-JTQLQIEISA-N
MW345.38 g/mol
LogP3.44
Rot. Bonds6

About ethyl (2S)-2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]propanoate

ethyl (2S)-2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]propanoate (PubChem CID 6404336) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is ethyl (2S)-2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]propanoate
PubChem CID6404336
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Nameethyl (2S)-2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]propanoate
SMILESCCOC(=O)[C@H](C)Sc1nnc(-c2ccco2)c(-c2ccco2)n1
InChIInChI=1S/C16H15N3O4S/c1-3-21-15(20)10(2)24-16-17-13(11-6-4-8-22-11)14(18-19-16)12-7-5-9-23-12/h4-10H,3H2,1-2H3/t10-/m0/s1
InChIKeyPFIFEXOXAXFFQR-JTQLQIEISA-N
XLogP3.44
TPSA91.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl (2S)-2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]propanoate with MolForge

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Related Compounds

ethyl 3-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]propanoate
CID 6401510
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-3-phenylpropanamide
CID 138562360
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(4-methylphenyl)butanamide
CID 23772265
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-methylacetamide
CID 6404295
3-[2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]ethylsulfanyl]-5,6-bis(furan-2-yl)-1,2,4-triazine
CID 6413506
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-tert-butylacetamide
CID 6404306
ethyl 4-formyl-6-(furan-2-yl)-2-methylsulfanylpyrimidine-5-carboxylate
CID 146364875
ethyl 4-(furan-2-yl)-5-methyl-1,3-thiazole-2-carboxylate
CID 62633596
ethyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanoate
CID 19204589
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-1-(2,5-dimethoxyphenyl)ethanone
CID 6404288
N-[4-[[2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetyl]amino]-2-methylphenyl]propanamide
CID 6404311
methyl 2-[[2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 6418150

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]propanoate?
The IUPAC name of ethyl (2S)-2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]propanoate (CID 6404336) is ethyl (2S)-2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]propanoate.
What is the SMILES notation for ethyl (2S)-2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]propanoate?
The canonical SMILES for ethyl (2S)-2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]propanoate is CCOC(=O)[C@H](C)Sc1nnc(-c2ccco2)c(-c2ccco2)n1.
What is the InChIKey of ethyl (2S)-2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]propanoate?
The InChIKey is PFIFEXOXAXFFQR-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-3-21-15(20)10(2)24-16-17-13(11-6-4-8-22-11)14(18-19-16)12-7-5-9-23-12/h4-10H,3H2,1-2H3/t10-/m0/s1.
What are the key properties of ethyl (2S)-2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]propanoate?
ethyl (2S)-2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]propanoate has a molecular weight of 345.38 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]propanoate is sourced from PubChem (CID 6404336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).