tert-butyl 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

C15H23N3O3S — CID 106435827

IUPACtert-butyl 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCC(O)c2ccsc2)C1
InChIInChI=1S/C15H23N3O3S/c1-15(2,3)21-14(20)18-6-5-16-13(9-18)17-8-12(19)11-4-7-22-10-11/h4,7,10,12,19H,5-6,8-9H2,1-3H3,(H,16,17)
InChIKeySIFOFJPTELUSPR-UHFFFAOYSA-N
MW325.43 g/mol
LogP2.02
Rot. Bonds3

About tert-butyl 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 106435827) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is tert-butyl 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID106435827
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Nametert-butyl 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCC(O)c2ccsc2)C1
InChIInChI=1S/C15H23N3O3S/c1-15(2,3)21-14(20)18-6-5-16-13(9-18)17-8-12(19)11-4-7-22-10-11/h4,7,10,12,19H,5-6,8-9H2,1-3H3,(H,16,17)
InChIKeySIFOFJPTELUSPR-UHFFFAOYSA-N
XLogP2.02
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 6-(2-thiophen-3-ylethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398032
tert-butyl 6-(propan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397846
tert-butyl 6-(but-2-ynylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398347
tert-butyl 6-[(2-hydroxy-1-phenylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398140
tert-butyl 6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398336
tert-butyl 6-(1,3-thiazol-5-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398410
tert-butyl 6-[(4-methoxyphenyl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397872
tert-butyl 6-[(3-ethoxy-3-oxopropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398095
tert-butyl 6-(2,2-dimethylheptylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398267
tert-butyl 6-(5-methylhexylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398284
tert-butyl 6-(2-phenoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398068
tert-butyl 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 106048380

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 106435827) is tert-butyl 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)(C)OC(=O)N1CCN=C(NCC(O)c2ccsc2)C1.
What is the InChIKey of tert-butyl 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is SIFOFJPTELUSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-15(2,3)21-14(20)18-6-5-16-13(9-18)17-8-12(19)11-4-7-22-10-11/h4,7,10,12,19H,5-6,8-9H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 325.43 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 106435827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).