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

C11H9NO2S — CID 7131132

IUPAC2-methyl-4-phenyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccccc2)c(C(=O)O)s1
InChIInChI=1S/C11H9NO2S/c1-7-12-9(10(15-7)11(13)14)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
InChIKeyAPXSARIYDLVPAY-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.82
Rot. Bonds2

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

2-methyl-4-phenyl-1,3-thiazole-5-carboxylic acid (PubChem CID 7131132) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-methyl-4-phenyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-phenyl-1,3-thiazole-5-carboxylic acid
PubChem CID7131132
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name2-methyl-4-phenyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccccc2)c(C(=O)O)s1
InChIInChI=1S/C11H9NO2S/c1-7-12-9(10(15-7)11(13)14)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
InChIKeyAPXSARIYDLVPAY-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 2-methyl-4-phenyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-methyl-4-phenyl-1,3-thiazole-5-carboxylic acid (CID 7131132) is 2-methyl-4-phenyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-4-phenyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-methyl-4-phenyl-1,3-thiazole-5-carboxylic acid is Cc1nc(-c2ccccc2)c(C(=O)O)s1.
What is the InChIKey of 2-methyl-4-phenyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is APXSARIYDLVPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c1-7-12-9(10(15-7)11(13)14)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14).
What are the key properties of 2-methyl-4-phenyl-1,3-thiazole-5-carboxylic acid?
2-methyl-4-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 2-methyl-4-phenyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 7131132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).