2-[4-(2,4-dichlorophenoxy)phenyl]-1,3-thiazole-4-carboxylic acid

C16H9Cl2NO3S — CID 22680662

IUPAC2-[4-(2,4-dichlorophenoxy)phenyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ccc(Oc3ccc(Cl)cc3Cl)cc2)n1
InChIInChI=1S/C16H9Cl2NO3S/c17-10-3-6-14(12(18)7-10)22-11-4-1-9(2-5-11)15-19-13(8-23-15)16(20)21/h1-8H,(H,20,21)
InChIKeyNRGFHHIWCNMWDO-UHFFFAOYSA-N
MW366.23 g/mol
LogP5.61
Rot. Bonds4

About 2-[4-(2,4-dichlorophenoxy)phenyl]-1,3-thiazole-4-carboxylic acid

2-[4-(2,4-dichlorophenoxy)phenyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 22680662) has the molecular formula C16H9Cl2NO3S and a molecular weight of 366.23 g/mol. Its IUPAC name is 2-[4-(2,4-dichlorophenoxy)phenyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(2,4-dichlorophenoxy)phenyl]-1,3-thiazole-4-carboxylic acid
PubChem CID22680662
Molecular FormulaC16H9Cl2NO3S
Molecular Weight366.23 g/mol
Exact Mass364.97
IUPAC Name2-[4-(2,4-dichlorophenoxy)phenyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ccc(Oc3ccc(Cl)cc3Cl)cc2)n1
InChIInChI=1S/C16H9Cl2NO3S/c17-10-3-6-14(12(18)7-10)22-11-4-1-9(2-5-11)15-19-13(8-23-15)16(20)21/h1-8H,(H,20,21)
InChIKeyNRGFHHIWCNMWDO-UHFFFAOYSA-N
XLogP5.61
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.23
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 20987125
2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20992347
2-[4-[2-(2-chlorophenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20991355
2-[4-[2-(4-chloro-3-methylphenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22680749
2-[4-(2-prop-2-enylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 22681836
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1483674
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 42865866
2-(5-chloro-2-propoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20984608
2-amino-4-(2,4-dichlorophenoxy)benzoic acid
CID 113419891
2-[4-[2-(4-fluorophenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22679862

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichlorophenoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[4-(2,4-dichlorophenoxy)phenyl]-1,3-thiazole-4-carboxylic acid (CID 22680662) is 2-[4-(2,4-dichlorophenoxy)phenyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[4-(2,4-dichlorophenoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[4-(2,4-dichlorophenoxy)phenyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-c2ccc(Oc3ccc(Cl)cc3Cl)cc2)n1.
What is the InChIKey of 2-[4-(2,4-dichlorophenoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is NRGFHHIWCNMWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2NO3S/c17-10-3-6-14(12(18)7-10)22-11-4-1-9(2-5-11)15-19-13(8-23-15)16(20)21/h1-8H,(H,20,21).
What are the key properties of 2-[4-(2,4-dichlorophenoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
2-[4-(2,4-dichlorophenoxy)phenyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 366.23 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dichlorophenoxy)phenyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 22680662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).