ethyl 5-cyano-2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate

C18H15N3O3S2 — CID 8935272

IUPACethyl 5-cyano-2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(SCc2cc(-c3cccs3)on2)nc1C
InChIInChI=1S/C18H15N3O3S2/c1-3-23-18(22)14-7-12(9-19)17(20-11(14)2)26-10-13-8-15(24-21-13)16-5-4-6-25-16/h4-8H,3,10H2,1-2H3
InChIKeyMFTRQSYBGFUIGN-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.45
Rot. Bonds6

About ethyl 5-cyano-2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate

ethyl 5-cyano-2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate (PubChem CID 8935272) has the molecular formula C18H15N3O3S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is ethyl 5-cyano-2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyano-2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate
PubChem CID8935272
Molecular FormulaC18H15N3O3S2
Molecular Weight385.47 g/mol
Exact Mass385.06
IUPAC Nameethyl 5-cyano-2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(SCc2cc(-c3cccs3)on2)nc1C
InChIInChI=1S/C18H15N3O3S2/c1-3-23-18(22)14-7-12(9-19)17(20-11(14)2)26-10-13-8-15(24-21-13)16-5-4-6-25-16/h4-8H,3,10H2,1-2H3
InChIKeyMFTRQSYBGFUIGN-UHFFFAOYSA-N
XLogP4.45
TPSA89.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 5-cyano-2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

4,6-dimethyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonitrile
CID 40690388
ethyl 5-cyano-6-(cyanomethylsulfanyl)-2-methylpyridine-3-carboxylate
CID 2385885
ethyl 5-cyano-6-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpyridine-3-carboxylate
CID 24667586
ethyl 6-[[2-(N-acetyl-4-ethylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-5-cyano-2-methylpyridine-3-carboxylate
CID 16556726
ethyl 6-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methylsulfanyl]-5-cyano-2-methylpyridine-3-carboxylate
CID 16571611
ethyl 6-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-cyano-2-methylpyridine-3-carboxylate
CID 27724312
ethyl 5-cyano-2-methyl-6-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethylsulfanyl]pyridine-3-carboxylate
CID 30824470
ethyl 5-cyano-2-methyl-6-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 17410405
ethyl 4-[[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetyl]amino]benzoate
CID 16879520
ethyl 6-[(3-amino-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-5-yl)methylsulfanyl]-5-cyano-2-methylpyridine-3-carboxylate
CID 24558213
ethyl 5-cyano-2-methyl-6-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]pyridine-3-carboxylate
CID 16611667
ethyl 5-cyano-2-methyl-6-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]sulfanylpyridine-3-carboxylate
CID 24597686

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyano-2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-cyano-2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate (CID 8935272) is ethyl 5-cyano-2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-cyano-2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-cyano-2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate is CCOC(=O)c1cc(C#N)c(SCc2cc(-c3cccs3)on2)nc1C.
What is the InChIKey of ethyl 5-cyano-2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate?
The InChIKey is MFTRQSYBGFUIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S2/c1-3-23-18(22)14-7-12(9-19)17(20-11(14)2)26-10-13-8-15(24-21-13)16-5-4-6-25-16/h4-8H,3,10H2,1-2H3.
What are the key properties of ethyl 5-cyano-2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate?
ethyl 5-cyano-2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate has a molecular weight of 385.47 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyano-2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate is sourced from PubChem (CID 8935272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).