methyl 5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate

C12H14N4O2S — CID 114059816

IUPACmethyl 5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(NC(C)c2nc(C)cs2)cn1
InChIInChI=1S/C12H14N4O2S/c1-7-6-19-11(15-7)8(2)16-10-5-13-9(4-14-10)12(17)18-3/h4-6,8H,1-3H3,(H,14,16)
InChIKeyITQQDVMBQGZKRP-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.20
Rot. Bonds4

About methyl 5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate

methyl 5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate (PubChem CID 114059816) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is methyl 5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate
PubChem CID114059816
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Namemethyl 5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(NC(C)c2nc(C)cs2)cn1
InChIInChI=1S/C12H14N4O2S/c1-7-6-19-11(15-7)8(2)16-10-5-13-9(4-14-10)12(17)18-3/h4-6,8H,1-3H3,(H,14,16)
InChIKeyITQQDVMBQGZKRP-UHFFFAOYSA-N
XLogP2.20
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate
CID 66455747
methyl 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate
CID 114059853
6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxamide
CID 79099798
2-[1-[(5,6-dimethylpyrazin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 114474543
methyl 5-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazine-2-carboxylate
CID 114093867
4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136975958
methyl 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyrazine-2-carboxylate
CID 114059751
4,6-dimethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine
CID 115355155
methyl 5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]-1H-pyrrole-2-carboxylate
CID 79416470
ethyl 3-methyl-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1,2-thiazole-4-carboxylate
CID 79364107
2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 114898569
2-(2-methoxyethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 103642136

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate (CID 114059816) is methyl 5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate is COC(=O)c1cnc(NC(C)c2nc(C)cs2)cn1.
What is the InChIKey of methyl 5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate?
The InChIKey is ITQQDVMBQGZKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-7-6-19-11(15-7)8(2)16-10-5-13-9(4-14-10)12(17)18-3/h4-6,8H,1-3H3,(H,14,16).
What are the key properties of methyl 5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate?
methyl 5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate has a molecular weight of 278.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate is sourced from PubChem (CID 114059816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).