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

C5H5NO2S — CID 21220663

IUPAC2-(1,3-thiazol-2-yl)acetic acid
SMILESO=C(O)Cc1nccs1
InChIInChI=1S/C5H5NO2S/c7-5(8)3-4-6-1-2-9-4/h1-2H,3H2,(H,7,8)
InChIKeyYXTMFYBABGJSBY-UHFFFAOYSA-N
MW143.17 g/mol
LogP0.77
Rot. Bonds2

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

2-(1,3-thiazol-2-yl)acetic acid (PubChem CID 21220663) has the molecular formula C5H5NO2S and a molecular weight of 143.17 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)acetic acid
PubChem CID21220663
Molecular FormulaC5H5NO2S
Molecular Weight143.17 g/mol
Exact Mass143.00
IUPAC Name2-(1,3-thiazol-2-yl)acetic acid
SMILESO=C(O)Cc1nccs1
InChIInChI=1S/C5H5NO2S/c7-5(8)3-4-6-1-2-9-4/h1-2H,3H2,(H,7,8)
InChIKeyYXTMFYBABGJSBY-UHFFFAOYSA-N
XLogP0.77
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)acetic acid?
The IUPAC name of 2-(1,3-thiazol-2-yl)acetic acid (CID 21220663) is 2-(1,3-thiazol-2-yl)acetic acid.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)acetic acid?
The canonical SMILES for 2-(1,3-thiazol-2-yl)acetic acid is O=C(O)Cc1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)acetic acid?
The InChIKey is YXTMFYBABGJSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2S/c7-5(8)3-4-6-1-2-9-4/h1-2H,3H2,(H,7,8).
What are the key properties of 2-(1,3-thiazol-2-yl)acetic acid?
2-(1,3-thiazol-2-yl)acetic acid has a molecular weight of 143.17 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)acetic acid is sourced from PubChem (CID 21220663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).