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

C12H11NO2S — CID 716695

IUPAC2-(2-methyl-5-phenyl-1,3-thiazol-4-yl)acetic acid
SMILESCc1nc(CC(=O)O)c(-c2ccccc2)s1
InChIInChI=1S/C12H11NO2S/c1-8-13-10(7-11(14)15)12(16-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,15)
InChIKeyILFHJGORBRMWSE-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.75
Rot. Bonds3

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

2-(2-methyl-5-phenyl-1,3-thiazol-4-yl)acetic acid (PubChem CID 716695) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(2-methyl-5-phenyl-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-5-phenyl-1,3-thiazol-4-yl)acetic acid
PubChem CID716695
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name2-(2-methyl-5-phenyl-1,3-thiazol-4-yl)acetic acid
SMILESCc1nc(CC(=O)O)c(-c2ccccc2)s1
InChIInChI=1S/C12H11NO2S/c1-8-13-10(7-11(14)15)12(16-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,15)
InChIKeyILFHJGORBRMWSE-UHFFFAOYSA-N
XLogP2.75
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-phenyl-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of 2-(2-methyl-5-phenyl-1,3-thiazol-4-yl)acetic acid (CID 716695) is 2-(2-methyl-5-phenyl-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-5-phenyl-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-5-phenyl-1,3-thiazol-4-yl)acetic acid is Cc1nc(CC(=O)O)c(-c2ccccc2)s1.
What is the InChIKey of 2-(2-methyl-5-phenyl-1,3-thiazol-4-yl)acetic acid?
The InChIKey is ILFHJGORBRMWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-8-13-10(7-11(14)15)12(16-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,15).
What are the key properties of 2-(2-methyl-5-phenyl-1,3-thiazol-4-yl)acetic acid?
2-(2-methyl-5-phenyl-1,3-thiazol-4-yl)acetic acid has a molecular weight of 233.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-phenyl-1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 716695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).