ethyl 2-(2-bromo-1,3-thiazol-5-yl)acetate

C7H8BrNO2S — CID 54136618

IUPACethyl 2-(2-bromo-1,3-thiazol-5-yl)acetate
SMILESCCOC(=O)Cc1cnc(Br)s1
InChIInChI=1S/C7H8BrNO2S/c1-2-11-6(10)3-5-4-9-7(8)12-5/h4H,2-3H2,1H3
InChIKeyNYDWRDWAJQLFCH-UHFFFAOYSA-N
MW250.12 g/mol
LogP2.01
Rot. Bonds3

About ethyl 2-(2-bromo-1,3-thiazol-5-yl)acetate

ethyl 2-(2-bromo-1,3-thiazol-5-yl)acetate (PubChem CID 54136618) has the molecular formula C7H8BrNO2S and a molecular weight of 250.12 g/mol. Its IUPAC name is ethyl 2-(2-bromo-1,3-thiazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-bromo-1,3-thiazol-5-yl)acetate
PubChem CID54136618
Molecular FormulaC7H8BrNO2S
Molecular Weight250.12 g/mol
Exact Mass248.95
IUPAC Nameethyl 2-(2-bromo-1,3-thiazol-5-yl)acetate
SMILESCCOC(=O)Cc1cnc(Br)s1
InChIInChI=1S/C7H8BrNO2S/c1-2-11-6(10)3-5-4-9-7(8)12-5/h4H,2-3H2,1H3
InChIKeyNYDWRDWAJQLFCH-UHFFFAOYSA-N
XLogP2.01
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-bromo-1,3-thiazol-5-yl)acetate?
The IUPAC name of ethyl 2-(2-bromo-1,3-thiazol-5-yl)acetate (CID 54136618) is ethyl 2-(2-bromo-1,3-thiazol-5-yl)acetate.
What is the SMILES notation for ethyl 2-(2-bromo-1,3-thiazol-5-yl)acetate?
The canonical SMILES for ethyl 2-(2-bromo-1,3-thiazol-5-yl)acetate is CCOC(=O)Cc1cnc(Br)s1.
What is the InChIKey of ethyl 2-(2-bromo-1,3-thiazol-5-yl)acetate?
The InChIKey is NYDWRDWAJQLFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2S/c1-2-11-6(10)3-5-4-9-7(8)12-5/h4H,2-3H2,1H3.
What are the key properties of ethyl 2-(2-bromo-1,3-thiazol-5-yl)acetate?
ethyl 2-(2-bromo-1,3-thiazol-5-yl)acetate has a molecular weight of 250.12 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-bromo-1,3-thiazol-5-yl)acetate is sourced from PubChem (CID 54136618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).