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

C12H11NO2S — CID 4603690

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetic acid
SMILESCc1csc(C(C(=O)O)c2ccccc2)n1
InChIInChI=1S/C12H11NO2S/c1-8-7-16-11(13-8)10(12(14)15)9-5-3-2-4-6-9/h2-7,10H,1H3,(H,14,15)
InChIKeyMDXCVMTXEFNABW-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.67
Rot. Bonds3

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

2-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetic acid (PubChem CID 4603690) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetic acid
PubChem CID4603690
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetic acid
SMILESCc1csc(C(C(=O)O)c2ccccc2)n1
InChIInChI=1S/C12H11NO2S/c1-8-7-16-11(13-8)10(12(14)15)9-5-3-2-4-6-9/h2-7,10H,1H3,(H,14,15)
InChIKeyMDXCVMTXEFNABW-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetic acid?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetic acid (CID 4603690) is 2-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetic acid.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetic acid?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetic acid is Cc1csc(C(C(=O)O)c2ccccc2)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetic acid?
The InChIKey is MDXCVMTXEFNABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-8-7-16-11(13-8)10(12(14)15)9-5-3-2-4-6-9/h2-7,10H,1H3,(H,14,15).
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetic acid?
2-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetic acid has a molecular weight of 233.29 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetic acid is sourced from PubChem (CID 4603690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).