ethyl 2-(3-aminopyrazin-2-yl)sulfanyl-2-fluoroacetate

C8H10FN3O2S — CID 106678022

IUPACethyl 2-(3-aminopyrazin-2-yl)sulfanyl-2-fluoroacetate
SMILESCCOC(=O)C(F)Sc1nccnc1N
InChIInChI=1S/C8H10FN3O2S/c1-2-14-8(13)5(9)15-7-6(10)11-3-4-12-7/h3-5H,2H2,1H3,(H2,10,11)
InChIKeyUVXKXFJHVMFTSD-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.01
Rot. Bonds4

About ethyl 2-(3-aminopyrazin-2-yl)sulfanyl-2-fluoroacetate

ethyl 2-(3-aminopyrazin-2-yl)sulfanyl-2-fluoroacetate (PubChem CID 106678022) has the molecular formula C8H10FN3O2S and a molecular weight of 231.25 g/mol. Its IUPAC name is ethyl 2-(3-aminopyrazin-2-yl)sulfanyl-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(3-aminopyrazin-2-yl)sulfanyl-2-fluoroacetate
PubChem CID106678022
Molecular FormulaC8H10FN3O2S
Molecular Weight231.25 g/mol
Exact Mass231.05
IUPAC Nameethyl 2-(3-aminopyrazin-2-yl)sulfanyl-2-fluoroacetate
SMILESCCOC(=O)C(F)Sc1nccnc1N
InChIInChI=1S/C8H10FN3O2S/c1-2-14-8(13)5(9)15-7-6(10)11-3-4-12-7/h3-5H,2H2,1H3,(H2,10,11)
InChIKeyUVXKXFJHVMFTSD-UHFFFAOYSA-N
XLogP1.01
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-aminopyrazin-2-yl)sulfanyl-2-fluoroacetate?
The IUPAC name of ethyl 2-(3-aminopyrazin-2-yl)sulfanyl-2-fluoroacetate (CID 106678022) is ethyl 2-(3-aminopyrazin-2-yl)sulfanyl-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(3-aminopyrazin-2-yl)sulfanyl-2-fluoroacetate?
The canonical SMILES for ethyl 2-(3-aminopyrazin-2-yl)sulfanyl-2-fluoroacetate is CCOC(=O)C(F)Sc1nccnc1N.
What is the InChIKey of ethyl 2-(3-aminopyrazin-2-yl)sulfanyl-2-fluoroacetate?
The InChIKey is UVXKXFJHVMFTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O2S/c1-2-14-8(13)5(9)15-7-6(10)11-3-4-12-7/h3-5H,2H2,1H3,(H2,10,11).
What are the key properties of ethyl 2-(3-aminopyrazin-2-yl)sulfanyl-2-fluoroacetate?
ethyl 2-(3-aminopyrazin-2-yl)sulfanyl-2-fluoroacetate has a molecular weight of 231.25 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-aminopyrazin-2-yl)sulfanyl-2-fluoroacetate is sourced from PubChem (CID 106678022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).