ethyl 7-amino-2-phenylthieno[2,3-b]pyrazine-6-carboxylate

C15H13N3O2S — CID 11460756

IUPACethyl 7-amino-2-phenylthieno[2,3-b]pyrazine-6-carboxylate
SMILESCCOC(=O)c1sc2ncc(-c3ccccc3)nc2c1N
InChIInChI=1S/C15H13N3O2S/c1-2-20-15(19)13-11(16)12-14(21-13)17-8-10(18-12)9-6-4-3-5-7-9/h3-8H,2,16H2,1H3
InChIKeyZJBXFXNVOQBMJC-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.12
Rot. Bonds3

About ethyl 7-amino-2-phenylthieno[2,3-b]pyrazine-6-carboxylate

ethyl 7-amino-2-phenylthieno[2,3-b]pyrazine-6-carboxylate (PubChem CID 11460756) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is ethyl 7-amino-2-phenylthieno[2,3-b]pyrazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-amino-2-phenylthieno[2,3-b]pyrazine-6-carboxylate
PubChem CID11460756
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Nameethyl 7-amino-2-phenylthieno[2,3-b]pyrazine-6-carboxylate
SMILESCCOC(=O)c1sc2ncc(-c3ccccc3)nc2c1N
InChIInChI=1S/C15H13N3O2S/c1-2-20-15(19)13-11(16)12-14(21-13)17-8-10(18-12)9-6-4-3-5-7-9/h3-8H,2,16H2,1H3
InChIKeyZJBXFXNVOQBMJC-UHFFFAOYSA-N
XLogP3.12
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 3-amino-5-nitrothieno[2,3-b]pyridine-2-carboxylate
CID 2831728
Ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate
CID 738459
Ethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 690223
Ethyl 3-amino-6-(pyridin-3-yl)thieno[2,3-b]pyridine-2-carboxylate
CID 753891
Methyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 689249
Methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 792057
Methyl 3-aminothieno(2,3-b)pyridine-2-carboxylate
CID 2820896
Isopropyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 2215233
Methyl 3,5-diamino-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 155512153
Methyl 3-amino-6-quinolin-3-ylthieno[3,2-b]pyridine-2-carboxylate
CID 50908356
Methyl 3-amino-6-[2-(4-aminophenyl)ethynyl]thieno[3,2-b]pyridine-2-carboxylate
CID 50994347
Methyl 3-amino-6-[2-(3-aminophenyl)ethynyl]thieno[3,2-b]pyridine-2-carboxylate
CID 51031930

Frequently Asked Questions

What is the IUPAC name of ethyl 7-amino-2-phenylthieno[2,3-b]pyrazine-6-carboxylate?
The IUPAC name of ethyl 7-amino-2-phenylthieno[2,3-b]pyrazine-6-carboxylate (CID 11460756) is ethyl 7-amino-2-phenylthieno[2,3-b]pyrazine-6-carboxylate.
What is the SMILES notation for ethyl 7-amino-2-phenylthieno[2,3-b]pyrazine-6-carboxylate?
The canonical SMILES for ethyl 7-amino-2-phenylthieno[2,3-b]pyrazine-6-carboxylate is CCOC(=O)c1sc2ncc(-c3ccccc3)nc2c1N.
What is the InChIKey of ethyl 7-amino-2-phenylthieno[2,3-b]pyrazine-6-carboxylate?
The InChIKey is ZJBXFXNVOQBMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-2-20-15(19)13-11(16)12-14(21-13)17-8-10(18-12)9-6-4-3-5-7-9/h3-8H,2,16H2,1H3.
What are the key properties of ethyl 7-amino-2-phenylthieno[2,3-b]pyrazine-6-carboxylate?
ethyl 7-amino-2-phenylthieno[2,3-b]pyrazine-6-carboxylate has a molecular weight of 299.36 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-amino-2-phenylthieno[2,3-b]pyrazine-6-carboxylate is sourced from PubChem (CID 11460756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).