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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Related Compounds

3-(1,3-Thiazol-2-yl)propanoic acid
CID 2760609
2-(1,3-Thiazol-2-yl)ethan-1-ol
CID 10034657
Cyclopropanecarboxylic acid, 1-(2-thiazolyl)-
CID 67256098
Sodium 2-(1,3-thiazol-2-yl)acetate
CID 73994900
Methyl 2-(1,3-thiazol-2-yl)acetate hydrochloride
CID 91654387
Methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate
CID 116987083
[(E)-1-(1,3-thiazol-2-yl)ethylideneamino] acetate
CID 6080248
3-Amino-3-(1,3-thiazol-2-yl)propanoic acid
CID 70397200
[1-(1,3-Thiazol-2-yl)ethylideneamino] acetate
CID 2806061
3-(1,3-Thiazol-2-yl)prop-2-ynoic acid
CID 131171922
Sodium 2-methyl-2-(1,3-thiazol-2-yl)propanoate
CID 134690995
Potassium 2-(1,3-thiazol-2-yl)propanoate
CID 137943676

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).