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

C11H11N3O2S — CID 2740342

IUPACethyl 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2cnccn2)nc1C
InChIInChI=1S/C11H11N3O2S/c1-3-16-11(15)9-7(2)14-10(17-9)8-6-12-4-5-13-8/h4-6H,3H2,1-2H3
InChIKeyMFKNHUMBYRXHLN-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.09
Rot. Bonds3

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

ethyl 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylate (PubChem CID 2740342) has the molecular formula C11H11N3O2S and a molecular weight of 249.29 g/mol. Its IUPAC name is ethyl 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylate
PubChem CID2740342
Molecular FormulaC11H11N3O2S
Molecular Weight249.29 g/mol
Exact Mass249.06
IUPAC Nameethyl 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2cnccn2)nc1C
InChIInChI=1S/C11H11N3O2S/c1-3-16-11(15)9-7(2)14-10(17-9)8-6-12-4-5-13-8/h4-6H,3H2,1-2H3
InChIKeyMFKNHUMBYRXHLN-UHFFFAOYSA-N
XLogP2.09
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-methyl-6-pyrazin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 81495842
(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methanol
CID 2776508
ethyl 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 15642023
ethyl 2-piperidin-1-yl-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate
CID 70881073
ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 136661905
ethyl 4-methyl-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]-1,3-thiazole-5-carboxylate
CID 175364883
2-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)ethanamine
CID 79153257
[2-(N-methylanilino)-2-oxoethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 9137078
ethyl 2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 116887456
1-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)ethanamine
CID 61289013
ethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate
CID 7454215
ethyl 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)propanoate
CID 103485378

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylate (CID 2740342) is ethyl 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2cnccn2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylate?
The InChIKey is MFKNHUMBYRXHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-3-16-11(15)9-7(2)14-10(17-9)8-6-12-4-5-13-8/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylate has a molecular weight of 249.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2740342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).