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

C6H7NO4S — CID 130646452

IUPAC2-hydroxy-2-(3-methoxy-1,2-thiazol-5-yl)acetic acid
SMILESCOc1cc(C(O)C(=O)O)sn1
InChIInChI=1S/C6H7NO4S/c1-11-4-2-3(12-7-4)5(8)6(9)10/h2,5,8H,1H3,(H,9,10)
InChIKeyIVLCYALVTVIEII-UHFFFAOYSA-N
MW189.19 g/mol
LogP0.27
Rot. Bonds3

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

2-hydroxy-2-(3-methoxy-1,2-thiazol-5-yl)acetic acid (PubChem CID 130646452) has the molecular formula C6H7NO4S and a molecular weight of 189.19 g/mol. Its IUPAC name is 2-hydroxy-2-(3-methoxy-1,2-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(3-methoxy-1,2-thiazol-5-yl)acetic acid
PubChem CID130646452
Molecular FormulaC6H7NO4S
Molecular Weight189.19 g/mol
Exact Mass189.01
IUPAC Name2-hydroxy-2-(3-methoxy-1,2-thiazol-5-yl)acetic acid
SMILESCOc1cc(C(O)C(=O)O)sn1
InChIInChI=1S/C6H7NO4S/c1-11-4-2-3(12-7-4)5(8)6(9)10/h2,5,8H,1H3,(H,9,10)
InChIKeyIVLCYALVTVIEII-UHFFFAOYSA-N
XLogP0.27
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(3-methoxy-1,2-thiazol-5-yl)acetic acid?
The IUPAC name of 2-hydroxy-2-(3-methoxy-1,2-thiazol-5-yl)acetic acid (CID 130646452) is 2-hydroxy-2-(3-methoxy-1,2-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(3-methoxy-1,2-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(3-methoxy-1,2-thiazol-5-yl)acetic acid is COc1cc(C(O)C(=O)O)sn1.
What is the InChIKey of 2-hydroxy-2-(3-methoxy-1,2-thiazol-5-yl)acetic acid?
The InChIKey is IVLCYALVTVIEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4S/c1-11-4-2-3(12-7-4)5(8)6(9)10/h2,5,8H,1H3,(H,9,10).
What are the key properties of 2-hydroxy-2-(3-methoxy-1,2-thiazol-5-yl)acetic acid?
2-hydroxy-2-(3-methoxy-1,2-thiazol-5-yl)acetic acid has a molecular weight of 189.19 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(3-methoxy-1,2-thiazol-5-yl)acetic acid is sourced from PubChem (CID 130646452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).