2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetic acid

C5H3BrClNO2S — CID 83680348

IUPAC2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetic acid
SMILESO=C(O)Cc1nc(Br)sc1Cl
InChIInChI=1S/C5H3BrClNO2S/c6-5-8-2(1-3(9)10)4(7)11-5/h1H2,(H,9,10)
InChIKeyOZGFSPHOIWGTBS-UHFFFAOYSA-N
MW256.51 g/mol
LogP2.19
Rot. Bonds2

About 2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetic acid

2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetic acid (PubChem CID 83680348) has the molecular formula C5H3BrClNO2S and a molecular weight of 256.51 g/mol. Its IUPAC name is 2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetic acid
PubChem CID83680348
Molecular FormulaC5H3BrClNO2S
Molecular Weight256.51 g/mol
Exact Mass254.88
IUPAC Name2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetic acid
SMILESO=C(O)Cc1nc(Br)sc1Cl
InChIInChI=1S/C5H3BrClNO2S/c6-5-8-2(1-3(9)10)4(7)11-5/h1H2,(H,9,10)
InChIKeyOZGFSPHOIWGTBS-UHFFFAOYSA-N
XLogP2.19
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.51
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of 2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetic acid (CID 83680348) is 2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetic acid is O=C(O)Cc1nc(Br)sc1Cl.
What is the InChIKey of 2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetic acid?
The InChIKey is OZGFSPHOIWGTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrClNO2S/c6-5-8-2(1-3(9)10)4(7)11-5/h1H2,(H,9,10).
What are the key properties of 2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetic acid?
2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetic acid has a molecular weight of 256.51 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chloro-1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 83680348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).