ethyl 2-bromo-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate

C10H7BrClN3O2S — CID 58074997

IUPACethyl 2-bromo-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Br)nc1-c1cnc(Cl)cn1
InChIInChI=1S/C10H7BrClN3O2S/c1-2-17-9(16)8-7(15-10(11)18-8)5-3-14-6(12)4-13-5/h3-4H,2H2,1H3
InChIKeyXILXFTBLXLFDPI-UHFFFAOYSA-N
MW348.61 g/mol
LogP3.19
Rot. Bonds3

About ethyl 2-bromo-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate

ethyl 2-bromo-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate (PubChem CID 58074997) has the molecular formula C10H7BrClN3O2S and a molecular weight of 348.61 g/mol. Its IUPAC name is ethyl 2-bromo-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-bromo-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate
PubChem CID58074997
Molecular FormulaC10H7BrClN3O2S
Molecular Weight348.61 g/mol
Exact Mass346.91
IUPAC Nameethyl 2-bromo-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Br)nc1-c1cnc(Cl)cn1
InChIInChI=1S/C10H7BrClN3O2S/c1-2-17-9(16)8-7(15-10(11)18-8)5-3-14-6(12)4-13-5/h3-4H,2H2,1H3
InChIKeyXILXFTBLXLFDPI-UHFFFAOYSA-N
XLogP3.19
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.61
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Thieno[2,3-b]pyrazine-6-carboxylic acid, 7-amino-2-chloro-, ethyl ester
CID 10539100
Methyl 7-amino-2-chlorothieno[2,3-b]pyrazine-6-carboxylate
CID 18796944
Ethyl 2-chloro-7-isocyanatothieno[2,3-b]pyrazine-6-carboxylate
CID 22614804
Ethyl 2-amino-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate
CID 58075094
Ethyl 5-pyrazin-2-yl-1,3-thiazole-4-carboxylate
CID 59291517
Methyl 2-chloro-4-(1-methyltriazol-4-yl)-1,3-thiazole-5-carboxylate
CID 59864582
Ethyl 2-chloro-4-(pyrazin-2-yl)thiazole-5-carboxylate
CID 59864583
Methyl 2-chloro-4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazole-5-carboxylate
CID 59864587
Methyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate
CID 59864615
Ethyl 2-amino-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate
CID 59864655
Ethyl 2-amino-4-(pyrazin-2-yl)thiazole-5-carboxylate
CID 59864748
Ethyl 2-chloro-4-(5-methylpyrazin-2-yl)-1,3-thiazole-5-carboxylate
CID 68629478

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-bromo-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate (CID 58074997) is ethyl 2-bromo-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-bromo-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-bromo-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(Br)nc1-c1cnc(Cl)cn1.
What is the InChIKey of ethyl 2-bromo-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is XILXFTBLXLFDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN3O2S/c1-2-17-9(16)8-7(15-10(11)18-8)5-3-14-6(12)4-13-5/h3-4H,2H2,1H3.
What are the key properties of ethyl 2-bromo-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate?
ethyl 2-bromo-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 348.61 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromo-4-(5-chloropyrazin-2-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 58074997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).