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

C5H4BrNO2S — CID 66224113

IUPAC2-(5-bromo-1,3-thiazol-2-yl)acetic acid
SMILESO=C(O)Cc1ncc(Br)s1
InChIInChI=1S/C5H4BrNO2S/c6-3-2-7-4(10-3)1-5(8)9/h2H,1H2,(H,8,9)
InChIKeyHWPHGGQHKXGLTP-UHFFFAOYSA-N
MW222.06 g/mol
LogP1.53
Rot. Bonds2

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

2-(5-bromo-1,3-thiazol-2-yl)acetic acid (PubChem CID 66224113) has the molecular formula C5H4BrNO2S and a molecular weight of 222.06 g/mol. Its IUPAC name is 2-(5-bromo-1,3-thiazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-bromo-1,3-thiazol-2-yl)acetic acid
PubChem CID66224113
Molecular FormulaC5H4BrNO2S
Molecular Weight222.06 g/mol
Exact Mass220.91
IUPAC Name2-(5-bromo-1,3-thiazol-2-yl)acetic acid
SMILESO=C(O)Cc1ncc(Br)s1
InChIInChI=1S/C5H4BrNO2S/c6-3-2-7-4(10-3)1-5(8)9/h2H,1H2,(H,8,9)
InChIKeyHWPHGGQHKXGLTP-UHFFFAOYSA-N
XLogP1.53
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.06
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1,3-thiazol-2-yl)acetic acid?
The IUPAC name of 2-(5-bromo-1,3-thiazol-2-yl)acetic acid (CID 66224113) is 2-(5-bromo-1,3-thiazol-2-yl)acetic acid.
What is the SMILES notation for 2-(5-bromo-1,3-thiazol-2-yl)acetic acid?
The canonical SMILES for 2-(5-bromo-1,3-thiazol-2-yl)acetic acid is O=C(O)Cc1ncc(Br)s1.
What is the InChIKey of 2-(5-bromo-1,3-thiazol-2-yl)acetic acid?
The InChIKey is HWPHGGQHKXGLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrNO2S/c6-3-2-7-4(10-3)1-5(8)9/h2H,1H2,(H,8,9).
What are the key properties of 2-(5-bromo-1,3-thiazol-2-yl)acetic acid?
2-(5-bromo-1,3-thiazol-2-yl)acetic acid has a molecular weight of 222.06 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1,3-thiazol-2-yl)acetic acid is sourced from PubChem (CID 66224113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).