ethyl 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)propanoate

C12H13N3O2S — CID 103485378

IUPACethyl 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)propanoate
SMILESCCOC(=O)CCc1csc(-c2cnccn2)n1
InChIInChI=1S/C12H13N3O2S/c1-2-17-11(16)4-3-9-8-18-12(15-9)10-7-13-5-6-14-10/h5-8H,2-4H2,1H3
InChIKeyRYKNLFSCYUDDRN-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.10
Rot. Bonds5

About ethyl 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)propanoate

ethyl 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)propanoate (PubChem CID 103485378) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is ethyl 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)propanoate
PubChem CID103485378
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Nameethyl 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)propanoate
SMILESCCOC(=O)CCc1csc(-c2cnccn2)n1
InChIInChI=1S/C12H13N3O2S/c1-2-17-11(16)4-3-9-8-18-12(15-9)10-7-13-5-6-14-10/h5-8H,2-4H2,1H3
InChIKeyRYKNLFSCYUDDRN-UHFFFAOYSA-N
XLogP2.10
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]propanoate
CID 107124580
ethyl 3-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propanoate
CID 103485086
ethyl 3-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propanoate
CID 103485198
ethyl 3-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)propanoate
CID 167975792
methyl 3-[2-(3-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]propanoate
CID 107039688
ethyl 3-(2-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-4-yl)propanoate
CID 122145273
ethyl 3-[2-(3-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]propanoate
CID 103485128
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide
CID 111596698
4-(chloromethyl)-2-pyrazin-2-yl-1,3-thiazole
CID 23025076
N-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide
CID 166260992
ethyl 3-[2-(3-chloro-5-fluorophenyl)-1,3-thiazol-4-yl]propanoate
CID 103485093
ethyl 3-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]propanoate
CID 103485384

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)propanoate?
The IUPAC name of ethyl 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)propanoate (CID 103485378) is ethyl 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)propanoate.
What is the SMILES notation for ethyl 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)propanoate?
The canonical SMILES for ethyl 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)propanoate is CCOC(=O)CCc1csc(-c2cnccn2)n1.
What is the InChIKey of ethyl 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)propanoate?
The InChIKey is RYKNLFSCYUDDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-2-17-11(16)4-3-9-8-18-12(15-9)10-7-13-5-6-14-10/h5-8H,2-4H2,1H3.
What are the key properties of ethyl 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)propanoate?
ethyl 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)propanoate has a molecular weight of 263.32 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)propanoate is sourced from PubChem (CID 103485378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).