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

C5H5NO3S — CID 19099702

IUPAC2-(1,3-thiazol-2-yloxy)acetic acid
SMILESO=C(O)COc1nccs1
InChIInChI=1S/C5H5NO3S/c7-4(8)3-9-5-6-1-2-10-5/h1-2H,3H2,(H,7,8)
InChIKeyCYGQVXWHTVQHKF-UHFFFAOYSA-N
MW159.17 g/mol
LogP0.61
Rot. Bonds3

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

2-(1,3-thiazol-2-yloxy)acetic acid (PubChem CID 19099702) has the molecular formula C5H5NO3S and a molecular weight of 159.17 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yloxy)acetic acid.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yloxy)acetic acid
PubChem CID19099702
Molecular FormulaC5H5NO3S
Molecular Weight159.17 g/mol
Exact Mass159.00
IUPAC Name2-(1,3-thiazol-2-yloxy)acetic acid
SMILESO=C(O)COc1nccs1
InChIInChI=1S/C5H5NO3S/c7-4(8)3-9-5-6-1-2-10-5/h1-2H,3H2,(H,7,8)
InChIKeyCYGQVXWHTVQHKF-UHFFFAOYSA-N
XLogP0.61
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.17
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yloxy)acetic acid?
The IUPAC name of 2-(1,3-thiazol-2-yloxy)acetic acid (CID 19099702) is 2-(1,3-thiazol-2-yloxy)acetic acid.
What is the SMILES notation for 2-(1,3-thiazol-2-yloxy)acetic acid?
The canonical SMILES for 2-(1,3-thiazol-2-yloxy)acetic acid is O=C(O)COc1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-yloxy)acetic acid?
The InChIKey is CYGQVXWHTVQHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3S/c7-4(8)3-9-5-6-1-2-10-5/h1-2H,3H2,(H,7,8).
What are the key properties of 2-(1,3-thiazol-2-yloxy)acetic acid?
2-(1,3-thiazol-2-yloxy)acetic acid has a molecular weight of 159.17 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yloxy)acetic acid is sourced from PubChem (CID 19099702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).