methyl 4-pyrazin-2-yl-1,3-thiazole-2-carboxylate

C9H7N3O2S — CID 133058817

IUPACmethyl 4-pyrazin-2-yl-1,3-thiazole-2-carboxylate
SMILESCOC(=O)c1nc(-c2cnccn2)cs1
InChIInChI=1S/C9H7N3O2S/c1-14-9(13)8-12-7(5-15-8)6-4-10-2-3-11-6/h2-5H,1H3
InChIKeyNVNGZQCZLNKXTO-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.39
Rot. Bonds2

About methyl 4-pyrazin-2-yl-1,3-thiazole-2-carboxylate

methyl 4-pyrazin-2-yl-1,3-thiazole-2-carboxylate (PubChem CID 133058817) has the molecular formula C9H7N3O2S and a molecular weight of 221.24 g/mol. Its IUPAC name is methyl 4-pyrazin-2-yl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-pyrazin-2-yl-1,3-thiazole-2-carboxylate
PubChem CID133058817
Molecular FormulaC9H7N3O2S
Molecular Weight221.24 g/mol
Exact Mass221.03
IUPAC Namemethyl 4-pyrazin-2-yl-1,3-thiazole-2-carboxylate
SMILESCOC(=O)c1nc(-c2cnccn2)cs1
InChIInChI=1S/C9H7N3O2S/c1-14-9(13)8-12-7(5-15-8)6-4-10-2-3-11-6/h2-5H,1H3
InChIKeyNVNGZQCZLNKXTO-UHFFFAOYSA-N
XLogP1.39
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(3-methylimidazol-4-yl)-1,3-thiazole-2-carboxylate
CID 172595710
methyl 4-(4-methylsulfanylphenyl)-1,3-thiazole-2-carboxylate
CID 116966354
methyl 4-(hydroxymethyl)-1,3-thiazole-2-carboxylate
CID 121307713
methyl 4-iodo-1-methyl-3-pyrazin-2-ylpyrazole-5-carboxylate
CID 121211641
methyl 6-(5-methyl-3-pyridinyl)-3-pyrazin-2-ylpyrazine-2-carboxylate
CID 66687074
ethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate;hydrobromide
CID 71756591
tris(2-pyrazin-2-ylpyrazine);ruthenium(1+)
CID 138986841
methyl 3-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzoate
CID 80555016
methyl [1,3]thiazolo[5,4-c]pyridine-2-carboxylate
CID 83387319
methyl 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylate
CID 116966357
ethane;methyl 5-(6-methoxypyrazin-2-yl)-1,3-thiazole-2-carboxylate
CID 163271303
methyl 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carboxylate
CID 116966375

Frequently Asked Questions

What is the IUPAC name of methyl 4-pyrazin-2-yl-1,3-thiazole-2-carboxylate?
The IUPAC name of methyl 4-pyrazin-2-yl-1,3-thiazole-2-carboxylate (CID 133058817) is methyl 4-pyrazin-2-yl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for methyl 4-pyrazin-2-yl-1,3-thiazole-2-carboxylate?
The canonical SMILES for methyl 4-pyrazin-2-yl-1,3-thiazole-2-carboxylate is COC(=O)c1nc(-c2cnccn2)cs1.
What is the InChIKey of methyl 4-pyrazin-2-yl-1,3-thiazole-2-carboxylate?
The InChIKey is NVNGZQCZLNKXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2S/c1-14-9(13)8-12-7(5-15-8)6-4-10-2-3-11-6/h2-5H,1H3.
What are the key properties of methyl 4-pyrazin-2-yl-1,3-thiazole-2-carboxylate?
methyl 4-pyrazin-2-yl-1,3-thiazole-2-carboxylate has a molecular weight of 221.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-pyrazin-2-yl-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 133058817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).