4-methyl-2-phenyl-1,3-thiazole-5-carboxylic acid

C11H9NO2S — CID 720957

IUPAC4-methyl-2-phenyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccccc2)sc1C(=O)O
InChIInChI=1S/C11H9NO2S/c1-7-9(11(13)14)15-10(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
InChIKeyCRSMRBYEBHOYRM-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.82
Rot. Bonds2

About 4-methyl-2-phenyl-1,3-thiazole-5-carboxylic acid

4-methyl-2-phenyl-1,3-thiazole-5-carboxylic acid (PubChem CID 720957) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 4-methyl-2-phenyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-phenyl-1,3-thiazole-5-carboxylic acid
PubChem CID720957
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name4-methyl-2-phenyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccccc2)sc1C(=O)O
InChIInChI=1S/C11H9NO2S/c1-7-9(11(13)14)15-10(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
InChIKeyCRSMRBYEBHOYRM-UHFFFAOYSA-N
XLogP2.82
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-phenyl-1,3-thiazole-5-carboxylic acid (CID 720957) is 4-methyl-2-phenyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-phenyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-phenyl-1,3-thiazole-5-carboxylic acid is Cc1nc(-c2ccccc2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-phenyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is CRSMRBYEBHOYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c1-7-9(11(13)14)15-10(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14).
What are the key properties of 4-methyl-2-phenyl-1,3-thiazole-5-carboxylic acid?
4-methyl-2-phenyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 219.27 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 720957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).