2-[[2-propoxy-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylic acid

C15H14F3NO3S — CID 11977573

IUPAC2-[[2-propoxy-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCCCOc1ccc(C(F)(F)F)cc1Cc1nc(C(=O)O)cs1
InChIInChI=1S/C15H14F3NO3S/c1-2-5-22-12-4-3-10(15(16,17)18)6-9(12)7-13-19-11(8-23-13)14(20)21/h3-4,6,8H,2,5,7H2,1H3,(H,20,21)
InChIKeySUNPYYPWSYBCJR-UHFFFAOYSA-N
MW345.34 g/mol
LogP4.24
Rot. Bonds6

About 2-[[2-propoxy-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylic acid

2-[[2-propoxy-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 11977573) has the molecular formula C15H14F3NO3S and a molecular weight of 345.34 g/mol. Its IUPAC name is 2-[[2-propoxy-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[2-propoxy-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID11977573
Molecular FormulaC15H14F3NO3S
Molecular Weight345.34 g/mol
Exact Mass345.06
IUPAC Name2-[[2-propoxy-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCCCOc1ccc(C(F)(F)F)cc1Cc1nc(C(=O)O)cs1
InChIInChI=1S/C15H14F3NO3S/c1-2-5-22-12-4-3-10(15(16,17)18)6-9(12)7-13-19-11(8-23-13)14(20)21/h3-4,6,8H,2,5,7H2,1H3,(H,20,21)
InChIKeySUNPYYPWSYBCJR-UHFFFAOYSA-N
XLogP4.24
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-propoxy-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-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 2-[[2-propoxy-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[2-propoxy-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylic acid (CID 11977573) is 2-[[2-propoxy-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[2-propoxy-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[2-propoxy-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylic acid is CCCOc1ccc(C(F)(F)F)cc1Cc1nc(C(=O)O)cs1.
What is the InChIKey of 2-[[2-propoxy-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is SUNPYYPWSYBCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO3S/c1-2-5-22-12-4-3-10(15(16,17)18)6-9(12)7-13-19-11(8-23-13)14(20)21/h3-4,6,8H,2,5,7H2,1H3,(H,20,21).
What are the key properties of 2-[[2-propoxy-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[2-propoxy-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 345.34 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-propoxy-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 11977573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).