fluoro 2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetate

C5H2BrClFNO2S — CID 144651224

IUPACfluoro 2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1nc(Br)sc1Cl)OF
InChIInChI=1S/C5H2BrClFNO2S/c6-5-9-2(4(7)12-5)1-3(10)11-8/h1H2
InChIKeyXXIKCSNIMKGLLS-UHFFFAOYSA-N
MW274.50 g/mol
LogP2.53
Rot. Bonds2

About fluoro 2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetate

fluoro 2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetate (PubChem CID 144651224) has the molecular formula C5H2BrClFNO2S and a molecular weight of 274.50 g/mol. Its IUPAC name is fluoro 2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Namefluoro 2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetate
PubChem CID144651224
Molecular FormulaC5H2BrClFNO2S
Molecular Weight274.50 g/mol
Exact Mass272.87
IUPAC Namefluoro 2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1nc(Br)sc1Cl)OF
InChIInChI=1S/C5H2BrClFNO2S/c6-5-9-2(4(7)12-5)1-3(10)11-8/h1H2
InChIKeyXXIKCSNIMKGLLS-UHFFFAOYSA-N
XLogP2.53
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.50
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of fluoro 2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetate?
The IUPAC name of fluoro 2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetate (CID 144651224) is fluoro 2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for fluoro 2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetate?
The canonical SMILES for fluoro 2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetate is O=C(Cc1nc(Br)sc1Cl)OF.
What is the InChIKey of fluoro 2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetate?
The InChIKey is XXIKCSNIMKGLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrClFNO2S/c6-5-9-2(4(7)12-5)1-3(10)11-8/h1H2.
What are the key properties of fluoro 2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetate?
fluoro 2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetate has a molecular weight of 274.50 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 144651224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).