tert-butyl 6-(2-thiophen-3-ylethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate

C15H23N3O2S — CID 103398032

IUPACtert-butyl 6-(2-thiophen-3-ylethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCCc2ccsc2)C1
InChIInChI=1S/C15H23N3O2S/c1-15(2,3)20-14(19)18-8-7-17-13(10-18)16-6-4-12-5-9-21-11-12/h5,9,11H,4,6-8,10H2,1-3H3,(H,16,17)
InChIKeyGWGYTFKVIANLEW-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.53
Rot. Bonds3

About tert-butyl 6-(2-thiophen-3-ylethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-(2-thiophen-3-ylethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398032) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is tert-butyl 6-(2-thiophen-3-ylethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(2-thiophen-3-ylethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398032
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Nametert-butyl 6-(2-thiophen-3-ylethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCCc2ccsc2)C1
InChIInChI=1S/C15H23N3O2S/c1-15(2,3)20-14(19)18-8-7-17-13(10-18)16-6-4-12-5-9-21-11-12/h5,9,11H,4,6-8,10H2,1-3H3,(H,16,17)
InChIKeyGWGYTFKVIANLEW-UHFFFAOYSA-N
XLogP2.53
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 106435827
tert-butyl 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 106048380
tert-butyl 6-[2-(1H-imidazol-5-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398223
tert-butyl 6-(2-phenoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398068
tert-butyl 6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398336
tert-butyl 6-[(4-methoxyphenyl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397872
tert-butyl 6-[2-(trifluoromethylsulfanyl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 106430845
tert-butyl 6-[(3-ethoxy-3-oxopropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398095
tert-butyl 4-(4-thiophen-3-ylbutyl)piperazine-1-carboxylate
CID 112717934
tert-butyl 6-(5-methylhexylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398284
tert-butyl 6-(2-cyclopentyloxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398163
tert-butyl 6-(but-2-ynylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398347

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(2-thiophen-3-ylethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-(2-thiophen-3-ylethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398032) is tert-butyl 6-(2-thiophen-3-ylethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-(2-thiophen-3-ylethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-(2-thiophen-3-ylethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)(C)OC(=O)N1CCN=C(NCCc2ccsc2)C1.
What is the InChIKey of tert-butyl 6-(2-thiophen-3-ylethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is GWGYTFKVIANLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-15(2,3)20-14(19)18-8-7-17-13(10-18)16-6-4-12-5-9-21-11-12/h5,9,11H,4,6-8,10H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl 6-(2-thiophen-3-ylethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-(2-thiophen-3-ylethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 309.44 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(2-thiophen-3-ylethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).