2-hydroxy-2-(1,2-thiazol-5-yl)acetic acid

C5H5NO3S — CID 82415692

IUPAC2-hydroxy-2-(1,2-thiazol-5-yl)acetic acid
SMILESO=C(O)C(O)c1ccns1
InChIInChI=1S/C5H5NO3S/c7-4(5(8)9)3-1-2-6-10-3/h1-2,4,7H,(H,8,9)
InChIKeyNTQHABWQNWEMCK-UHFFFAOYSA-N
MW159.17 g/mol
LogP0.26
Rot. Bonds2

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

2-hydroxy-2-(1,2-thiazol-5-yl)acetic acid (PubChem CID 82415692) has the molecular formula C5H5NO3S and a molecular weight of 159.17 g/mol. Its IUPAC name is 2-hydroxy-2-(1,2-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(1,2-thiazol-5-yl)acetic acid
PubChem CID82415692
Molecular FormulaC5H5NO3S
Molecular Weight159.17 g/mol
Exact Mass159.00
IUPAC Name2-hydroxy-2-(1,2-thiazol-5-yl)acetic acid
SMILESO=C(O)C(O)c1ccns1
InChIInChI=1S/C5H5NO3S/c7-4(5(8)9)3-1-2-6-10-3/h1-2,4,7H,(H,8,9)
InChIKeyNTQHABWQNWEMCK-UHFFFAOYSA-N
XLogP0.26
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.17
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(1,2-thiazol-5-yl)acetic acid?
The IUPAC name of 2-hydroxy-2-(1,2-thiazol-5-yl)acetic acid (CID 82415692) is 2-hydroxy-2-(1,2-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(1,2-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(1,2-thiazol-5-yl)acetic acid is O=C(O)C(O)c1ccns1.
What is the InChIKey of 2-hydroxy-2-(1,2-thiazol-5-yl)acetic acid?
The InChIKey is NTQHABWQNWEMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3S/c7-4(5(8)9)3-1-2-6-10-3/h1-2,4,7H,(H,8,9).
What are the key properties of 2-hydroxy-2-(1,2-thiazol-5-yl)acetic acid?
2-hydroxy-2-(1,2-thiazol-5-yl)acetic acid has a molecular weight of 159.17 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(1,2-thiazol-5-yl)acetic acid is sourced from PubChem (CID 82415692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).