ethyl 2-bromo-4-ethyl-1,3-thiazole-5-carboxylate

C8H10BrNO2S — CID 150198981

IUPACethyl 2-bromo-4-ethyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Br)nc1CC
InChIInChI=1S/C8H10BrNO2S/c1-3-5-6(7(11)12-4-2)13-8(9)10-5/h3-4H2,1-2H3
InChIKeyFPBGCDLKNXSIBS-UHFFFAOYSA-N
MW264.14 g/mol
LogP2.64
Rot. Bonds3

About ethyl 2-bromo-4-ethyl-1,3-thiazole-5-carboxylate

ethyl 2-bromo-4-ethyl-1,3-thiazole-5-carboxylate (PubChem CID 150198981) has the molecular formula C8H10BrNO2S and a molecular weight of 264.14 g/mol. Its IUPAC name is ethyl 2-bromo-4-ethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-bromo-4-ethyl-1,3-thiazole-5-carboxylate
PubChem CID150198981
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14 g/mol
Exact Mass262.96
IUPAC Nameethyl 2-bromo-4-ethyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Br)nc1CC
InChIInChI=1S/C8H10BrNO2S/c1-3-5-6(7(11)12-4-2)13-8(9)10-5/h3-4H2,1-2H3
InChIKeyFPBGCDLKNXSIBS-UHFFFAOYSA-N
XLogP2.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-4-ethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-bromo-4-ethyl-1,3-thiazole-5-carboxylate (CID 150198981) is ethyl 2-bromo-4-ethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-bromo-4-ethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-bromo-4-ethyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(Br)nc1CC.
What is the InChIKey of ethyl 2-bromo-4-ethyl-1,3-thiazole-5-carboxylate?
The InChIKey is FPBGCDLKNXSIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S/c1-3-5-6(7(11)12-4-2)13-8(9)10-5/h3-4H2,1-2H3.
What are the key properties of ethyl 2-bromo-4-ethyl-1,3-thiazole-5-carboxylate?
ethyl 2-bromo-4-ethyl-1,3-thiazole-5-carboxylate has a molecular weight of 264.14 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromo-4-ethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 150198981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).