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

C10H12BrNO2S — CID 155124766

IUPACethyl 5-bromo-2-cyclobutyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CCC2)sc1Br
InChIInChI=1S/C10H12BrNO2S/c1-2-14-10(13)7-8(11)15-9(12-7)6-4-3-5-6/h6H,2-5H2,1H3
InChIKeyXLGCLYCHZWFOCX-UHFFFAOYSA-N
MW290.18 g/mol
LogP3.35
Rot. Bonds3

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

ethyl 5-bromo-2-cyclobutyl-1,3-thiazole-4-carboxylate (PubChem CID 155124766) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is ethyl 5-bromo-2-cyclobutyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-bromo-2-cyclobutyl-1,3-thiazole-4-carboxylate
PubChem CID155124766
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Nameethyl 5-bromo-2-cyclobutyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CCC2)sc1Br
InChIInChI=1S/C10H12BrNO2S/c1-2-14-10(13)7-8(11)15-9(12-7)6-4-3-5-6/h6H,2-5H2,1H3
InChIKeyXLGCLYCHZWFOCX-UHFFFAOYSA-N
XLogP3.35
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromo-2-cyclobutyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-bromo-2-cyclobutyl-1,3-thiazole-4-carboxylate (CID 155124766) is ethyl 5-bromo-2-cyclobutyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-bromo-2-cyclobutyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-bromo-2-cyclobutyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C2CCC2)sc1Br.
What is the InChIKey of ethyl 5-bromo-2-cyclobutyl-1,3-thiazole-4-carboxylate?
The InChIKey is XLGCLYCHZWFOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-2-14-10(13)7-8(11)15-9(12-7)6-4-3-5-6/h6H,2-5H2,1H3.
What are the key properties of ethyl 5-bromo-2-cyclobutyl-1,3-thiazole-4-carboxylate?
ethyl 5-bromo-2-cyclobutyl-1,3-thiazole-4-carboxylate has a molecular weight of 290.18 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-bromo-2-cyclobutyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 155124766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).