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

C12H14N4O2S — CID 114059853

IUPACmethyl 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(NC(C)c2ncc(C)s2)cn1
InChIInChI=1S/C12H14N4O2S/c1-7-4-15-11(19-7)8(2)16-10-6-13-9(5-14-10)12(17)18-3/h4-6,8H,1-3H3,(H,14,16)
InChIKeyIBQBJAVYIVWIFS-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.20
Rot. Bonds4

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

methyl 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate (PubChem CID 114059853) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is methyl 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate
PubChem CID114059853
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Namemethyl 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(NC(C)c2ncc(C)s2)cn1
InChIInChI=1S/C12H14N4O2S/c1-7-4-15-11(19-7)8(2)16-10-6-13-9(5-14-10)12(17)18-3/h4-6,8H,1-3H3,(H,14,16)
InChIKeyIBQBJAVYIVWIFS-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 5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate
CID 114059816
methyl 5-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazine-2-carboxylate
CID 114093867
ethyl 5-methyl-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate
CID 116527076
methyl 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyrazine-2-carboxylate
CID 114059751
6-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carbothioamide
CID 113387312
methyl (E)-2-methyl-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]but-2-enoate
CID 104579967
2-amino-5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 113387502
(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119898126
(4-methylpiperidin-1-yl)-[6-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]methanone
CID 133337250
methyl 2-fluoro-4-[[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]methyl]benzoate
CID 104579959
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]quinolin-2-amine
CID 115681209
methyl 5-amino-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylate
CID 114407610

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate (CID 114059853) is methyl 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate is COC(=O)c1cnc(NC(C)c2ncc(C)s2)cn1.
What is the InChIKey of methyl 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate?
The InChIKey is IBQBJAVYIVWIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-7-4-15-11(19-7)8(2)16-10-6-13-9(5-14-10)12(17)18-3/h4-6,8H,1-3H3,(H,14,16).
What are the key properties of methyl 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate?
methyl 5-[1-(5-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-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate is sourced from PubChem (CID 114059853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).