ethyl 5-pyrazin-2-yl-1,3-thiazole-4-carboxylate

C10H9N3O2S — CID 59291517

IUPACethyl 5-pyrazin-2-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1-c1cnccn1
InChIInChI=1S/C10H9N3O2S/c1-2-15-10(14)8-9(16-6-13-8)7-5-11-3-4-12-7/h3-6H,2H2,1H3
InChIKeyYQKLMHUHUVGYCP-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.78
Rot. Bonds3

About ethyl 5-pyrazin-2-yl-1,3-thiazole-4-carboxylate

ethyl 5-pyrazin-2-yl-1,3-thiazole-4-carboxylate (PubChem CID 59291517) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is ethyl 5-pyrazin-2-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-pyrazin-2-yl-1,3-thiazole-4-carboxylate
PubChem CID59291517
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Nameethyl 5-pyrazin-2-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1-c1cnccn1
InChIInChI=1S/C10H9N3O2S/c1-2-15-10(14)8-9(16-6-13-8)7-5-11-3-4-12-7/h3-6H,2H2,1H3
InChIKeyYQKLMHUHUVGYCP-UHFFFAOYSA-N
XLogP1.78
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-pyrazin-2-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-pyrazin-2-yl-1,3-thiazole-4-carboxylate (CID 59291517) is ethyl 5-pyrazin-2-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-pyrazin-2-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-pyrazin-2-yl-1,3-thiazole-4-carboxylate is CCOC(=O)c1ncsc1-c1cnccn1.
What is the InChIKey of ethyl 5-pyrazin-2-yl-1,3-thiazole-4-carboxylate?
The InChIKey is YQKLMHUHUVGYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-2-15-10(14)8-9(16-6-13-8)7-5-11-3-4-12-7/h3-6H,2H2,1H3.
What are the key properties of ethyl 5-pyrazin-2-yl-1,3-thiazole-4-carboxylate?
ethyl 5-pyrazin-2-yl-1,3-thiazole-4-carboxylate has a molecular weight of 235.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-pyrazin-2-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 59291517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).