methyl 6-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carboxylate

C10H10N4O2S — CID 104577442

IUPACmethyl 6-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCc2cncs2)n1
InChIInChI=1S/C10H10N4O2S/c1-16-10(15)8-4-11-5-9(14-8)13-3-7-2-12-6-17-7/h2,4-6H,3H2,1H3,(H,13,14)
InChIKeyMOLHBNSUDRCCBQ-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.33
Rot. Bonds4

About methyl 6-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carboxylate

methyl 6-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carboxylate (PubChem CID 104577442) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is methyl 6-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carboxylate
PubChem CID104577442
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Namemethyl 6-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCc2cncs2)n1
InChIInChI=1S/C10H10N4O2S/c1-16-10(15)8-4-11-5-9(14-8)13-3-7-2-12-6-17-7/h2,4-6H,3H2,1H3,(H,13,14)
InChIKeyMOLHBNSUDRCCBQ-UHFFFAOYSA-N
XLogP1.33
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carboxylate
CID 114408077
3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid
CID 66454375
methyl 6-[(1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylate
CID 66457699
methyl 6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carboxylate
CID 66456495
methyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyrazine-2-carboxylate
CID 66457291
methyl 6-(oxan-4-ylmethylamino)pyrazine-2-carboxylate
CID 66457320
methyl 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylate
CID 66457721
methyl 6-(2,4,4-trimethylpentan-2-ylamino)pyrazine-2-carboxylate
CID 66449702
methyl 6-[(4-methylcyclohexyl)methylamino]pyrazine-2-carboxylate
CID 66455933
methyl 6-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carboxylate
CID 114175311
methyl 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylate
CID 115455097
2-[4-[[(6-methoxycarbonylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid
CID 115457844

Frequently Asked Questions

What is the IUPAC name of methyl 6-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carboxylate (CID 104577442) is methyl 6-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carboxylate is COC(=O)c1cncc(NCc2cncs2)n1.
What is the InChIKey of methyl 6-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carboxylate?
The InChIKey is MOLHBNSUDRCCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-16-10(15)8-4-11-5-9(14-8)13-3-7-2-12-6-17-7/h2,4-6H,3H2,1H3,(H,13,14).
What are the key properties of methyl 6-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carboxylate?
methyl 6-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carboxylate has a molecular weight of 250.28 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 104577442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).