2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid

C6H7NO3S — CID 2468238

IUPAC2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid
SMILESCc1csc(=O)n1CC(=O)O
InChIInChI=1S/C6H7NO3S/c1-4-3-11-6(10)7(4)2-5(8)9/h3H,2H2,1H3,(H,8,9)
InChIKeyRUXSNFPDNUJKLO-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.30
Rot. Bonds2

About 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid (PubChem CID 2468238) has the molecular formula C6H7NO3S and a molecular weight of 173.19 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid
PubChem CID2468238
Molecular FormulaC6H7NO3S
Molecular Weight173.19 g/mol
Exact Mass173.01
IUPAC Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid
SMILESCc1csc(=O)n1CC(=O)O
InChIInChI=1S/C6H7NO3S/c1-4-3-11-6(10)7(4)2-5(8)9/h3H,2H2,1H3,(H,8,9)
InChIKeyRUXSNFPDNUJKLO-UHFFFAOYSA-N
XLogP0.30
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid?
The IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid (CID 2468238) is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid.
What is the SMILES notation for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid?
The canonical SMILES for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid is Cc1csc(=O)n1CC(=O)O.
What is the InChIKey of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid?
The InChIKey is RUXSNFPDNUJKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3S/c1-4-3-11-6(10)7(4)2-5(8)9/h3H,2H2,1H3,(H,8,9).
What are the key properties of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid?
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid has a molecular weight of 173.19 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid is sourced from PubChem (CID 2468238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).