2-(5-methyl-2-oxo-4-phenyl-1,3-thiazol-3-yl)acetic acid

C12H11NO3S — CID 16767775

IUPAC2-(5-methyl-2-oxo-4-phenyl-1,3-thiazol-3-yl)acetic acid
SMILESCc1sc(=O)n(CC(=O)O)c1-c1ccccc1
InChIInChI=1S/C12H11NO3S/c1-8-11(9-5-3-2-4-6-9)13(7-10(14)15)12(16)17-8/h2-6H,7H2,1H3,(H,14,15)
InChIKeyDTMVALWVCPHSKB-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.97
Rot. Bonds3

About 2-(5-methyl-2-oxo-4-phenyl-1,3-thiazol-3-yl)acetic acid

2-(5-methyl-2-oxo-4-phenyl-1,3-thiazol-3-yl)acetic acid (PubChem CID 16767775) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-(5-methyl-2-oxo-4-phenyl-1,3-thiazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-2-oxo-4-phenyl-1,3-thiazol-3-yl)acetic acid
PubChem CID16767775
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name2-(5-methyl-2-oxo-4-phenyl-1,3-thiazol-3-yl)acetic acid
SMILESCc1sc(=O)n(CC(=O)O)c1-c1ccccc1
InChIInChI=1S/C12H11NO3S/c1-8-11(9-5-3-2-4-6-9)13(7-10(14)15)12(16)17-8/h2-6H,7H2,1H3,(H,14,15)
InChIKeyDTMVALWVCPHSKB-UHFFFAOYSA-N
XLogP1.97
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-oxo-4-phenyl-1,3-thiazol-3-yl)acetic acid?
The IUPAC name of 2-(5-methyl-2-oxo-4-phenyl-1,3-thiazol-3-yl)acetic acid (CID 16767775) is 2-(5-methyl-2-oxo-4-phenyl-1,3-thiazol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-methyl-2-oxo-4-phenyl-1,3-thiazol-3-yl)acetic acid?
The canonical SMILES for 2-(5-methyl-2-oxo-4-phenyl-1,3-thiazol-3-yl)acetic acid is Cc1sc(=O)n(CC(=O)O)c1-c1ccccc1.
What is the InChIKey of 2-(5-methyl-2-oxo-4-phenyl-1,3-thiazol-3-yl)acetic acid?
The InChIKey is DTMVALWVCPHSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-8-11(9-5-3-2-4-6-9)13(7-10(14)15)12(16)17-8/h2-6H,7H2,1H3,(H,14,15).
What are the key properties of 2-(5-methyl-2-oxo-4-phenyl-1,3-thiazol-3-yl)acetic acid?
2-(5-methyl-2-oxo-4-phenyl-1,3-thiazol-3-yl)acetic acid has a molecular weight of 249.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-oxo-4-phenyl-1,3-thiazol-3-yl)acetic acid is sourced from PubChem (CID 16767775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).