2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid

C17H11Cl2NO3S — CID 20992347

IUPAC2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ccc(OCc3c(Cl)cccc3Cl)cc2)n1
InChIInChI=1S/C17H11Cl2NO3S/c18-13-2-1-3-14(19)12(13)8-23-11-6-4-10(5-7-11)16-20-15(9-24-16)17(21)22/h1-7,9H,8H2,(H,21,22)
InChIKeyGWHZFGGVARLYIV-UHFFFAOYSA-N
MW380.25 g/mol
LogP5.39
Rot. Bonds5

About 2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid

2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 20992347) has the molecular formula C17H11Cl2NO3S and a molecular weight of 380.25 g/mol. Its IUPAC name is 2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
PubChem CID20992347
Molecular FormulaC17H11Cl2NO3S
Molecular Weight380.25 g/mol
Exact Mass378.98
IUPAC Name2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ccc(OCc3c(Cl)cccc3Cl)cc2)n1
InChIInChI=1S/C17H11Cl2NO3S/c18-13-2-1-3-14(19)12(13)8-23-11-6-4-10(5-7-11)16-20-15(9-24-16)17(21)22/h1-7,9H,8H2,(H,21,22)
InChIKeyGWHZFGGVARLYIV-UHFFFAOYSA-N
XLogP5.39
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.25
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-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

Related Compounds

2-[4-[2-(2-chlorophenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20991355
2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 46065918
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
2-[4-[(4-bromophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20988562
2-[3-[(4-methoxyphenoxy)methyl]phenyl]-1,3-thiazole-4-carboxylic acid
CID 39158618
5-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboxylic acid
CID 79793988
2-[4-[2-(4-chloro-3-methylphenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22680749
2-(2-chloro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 42865737
2-[4-[2-(4-fluorophenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22679862
2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46065798
2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 42865863
N-benzyl-2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 42865825

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid (CID 20992347) is 2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-c2ccc(OCc3c(Cl)cccc3Cl)cc2)n1.
What is the InChIKey of 2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is GWHZFGGVARLYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO3S/c18-13-2-1-3-14(19)12(13)8-23-11-6-4-10(5-7-11)16-20-15(9-24-16)17(21)22/h1-7,9H,8H2,(H,21,22).
What are the key properties of 2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid?
2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 380.25 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 20992347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).