tert-butyl 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate

C15H24N4O2S — CID 106048380

IUPACtert-butyl 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCc1nc(CCNC2=NCCN(C(=O)OC(C)(C)C)C2)cs1
InChIInChI=1S/C15H24N4O2S/c1-11-18-12(10-22-11)5-6-16-13-9-19(8-7-17-13)14(20)21-15(2,3)4/h10H,5-9H2,1-4H3,(H,16,17)
InChIKeyVAJXOUJIFFDNHG-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.23
Rot. Bonds3

About tert-butyl 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 106048380) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is tert-butyl 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID106048380
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Nametert-butyl 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCc1nc(CCNC2=NCCN(C(=O)OC(C)(C)C)C2)cs1
InChIInChI=1S/C15H24N4O2S/c1-11-18-12(10-22-11)5-6-16-13-9-19(8-7-17-13)14(20)21-15(2,3)4/h10H,5-9H2,1-4H3,(H,16,17)
InChIKeyVAJXOUJIFFDNHG-UHFFFAOYSA-N
XLogP2.23
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 6-[2-(1H-imidazol-5-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398223
tert-butyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103748044
tert-butyl 6-[(3-ethoxy-3-oxopropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398095
tert-butyl 6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398336
tert-butyl 6-[(5-methylpyrazin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398128
tert-butyl 6-(1,3-thiazol-5-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398410
tert-butyl 4-[N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]piperazine-1-carboxylate
CID 111041335
tert-butyl 6-[2-(trifluoromethylsulfanyl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 106430845
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
tert-butyl 6-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate;ethane
CID 145066707

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 106048380) is tert-butyl 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is Cc1nc(CCNC2=NCCN(C(=O)OC(C)(C)C)C2)cs1.
What is the InChIKey of tert-butyl 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is VAJXOUJIFFDNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-11-18-12(10-22-11)5-6-16-13-9-19(8-7-17-13)14(20)21-15(2,3)4/h10H,5-9H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 324.45 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 106048380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).