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

C6H7NO3S — CID 131083966

IUPAC2-hydroxy-2-(3-methyl-1,2-thiazol-5-yl)acetic acid
SMILESCc1cc(C(O)C(=O)O)sn1
InChIInChI=1S/C6H7NO3S/c1-3-2-4(11-7-3)5(8)6(9)10/h2,5,8H,1H3,(H,9,10)
InChIKeyOEUVMQLFQNRZTP-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.57
Rot. Bonds2

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

2-hydroxy-2-(3-methyl-1,2-thiazol-5-yl)acetic acid (PubChem CID 131083966) has the molecular formula C6H7NO3S and a molecular weight of 173.19 g/mol. Its IUPAC name is 2-hydroxy-2-(3-methyl-1,2-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(3-methyl-1,2-thiazol-5-yl)acetic acid
PubChem CID131083966
Molecular FormulaC6H7NO3S
Molecular Weight173.19 g/mol
Exact Mass173.01
IUPAC Name2-hydroxy-2-(3-methyl-1,2-thiazol-5-yl)acetic acid
SMILESCc1cc(C(O)C(=O)O)sn1
InChIInChI=1S/C6H7NO3S/c1-3-2-4(11-7-3)5(8)6(9)10/h2,5,8H,1H3,(H,9,10)
InChIKeyOEUVMQLFQNRZTP-UHFFFAOYSA-N
XLogP0.57
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(3-methyl-1,2-thiazol-5-yl)acetic acid?
The IUPAC name of 2-hydroxy-2-(3-methyl-1,2-thiazol-5-yl)acetic acid (CID 131083966) is 2-hydroxy-2-(3-methyl-1,2-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(3-methyl-1,2-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(3-methyl-1,2-thiazol-5-yl)acetic acid is Cc1cc(C(O)C(=O)O)sn1.
What is the InChIKey of 2-hydroxy-2-(3-methyl-1,2-thiazol-5-yl)acetic acid?
The InChIKey is OEUVMQLFQNRZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3S/c1-3-2-4(11-7-3)5(8)6(9)10/h2,5,8H,1H3,(H,9,10).
What are the key properties of 2-hydroxy-2-(3-methyl-1,2-thiazol-5-yl)acetic acid?
2-hydroxy-2-(3-methyl-1,2-thiazol-5-yl)acetic acid has a molecular weight of 173.19 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(3-methyl-1,2-thiazol-5-yl)acetic acid is sourced from PubChem (CID 131083966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).