4-methyl-2-[2-(2-phenylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid

C19H17NO3S — CID 4874789

IUPAC4-methyl-2-[2-(2-phenylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CCOc2ccccc2-c2ccccc2)sc1C(=O)O
InChIInChI=1S/C19H17NO3S/c1-13-18(19(21)22)24-17(20-13)11-12-23-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,21,22)
InChIKeyBPQVLVRVCRPPJG-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.44
Rot. Bonds6

About 4-methyl-2-[2-(2-phenylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[2-(2-phenylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 4874789) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-methyl-2-[2-(2-phenylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[2-(2-phenylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
PubChem CID4874789
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name4-methyl-2-[2-(2-phenylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CCOc2ccccc2-c2ccccc2)sc1C(=O)O
InChIInChI=1S/C19H17NO3S/c1-13-18(19(21)22)24-17(20-13)11-12-23-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,21,22)
InChIKeyBPQVLVRVCRPPJG-UHFFFAOYSA-N
XLogP4.44
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[2-(2-phenylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(2-phenylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[2-(2-phenylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid (CID 4874789) is 4-methyl-2-[2-(2-phenylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[2-(2-phenylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[2-(2-phenylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid is Cc1nc(CCOc2ccccc2-c2ccccc2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[2-(2-phenylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is BPQVLVRVCRPPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-13-18(19(21)22)24-17(20-13)11-12-23-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,21,22).
What are the key properties of 4-methyl-2-[2-(2-phenylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[2-(2-phenylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 339.42 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(2-phenylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 4874789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).