2-(2-chlorophenoxy)-5-methyl-1,3-thiazole-4-carboxylic acid

C11H8ClNO3S — CID 66509643

IUPAC2-(2-chlorophenoxy)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(Oc2ccccc2Cl)nc1C(=O)O
InChIInChI=1S/C11H8ClNO3S/c1-6-9(10(14)15)13-11(17-6)16-8-5-3-2-4-7(8)12/h2-5H,1H3,(H,14,15)
InChIKeyMULYPOXYUIOYEM-UHFFFAOYSA-N
MW269.71 g/mol
LogP3.60
Rot. Bonds3

About 2-(2-chlorophenoxy)-5-methyl-1,3-thiazole-4-carboxylic acid

2-(2-chlorophenoxy)-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 66509643) has the molecular formula C11H8ClNO3S and a molecular weight of 269.71 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID66509643
Molecular FormulaC11H8ClNO3S
Molecular Weight269.71 g/mol
Exact Mass268.99
IUPAC Name2-(2-chlorophenoxy)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(Oc2ccccc2Cl)nc1C(=O)O
InChIInChI=1S/C11H8ClNO3S/c1-6-9(10(14)15)13-11(17-6)16-8-5-3-2-4-7(8)12/h2-5H,1H3,(H,14,15)
InChIKeyMULYPOXYUIOYEM-UHFFFAOYSA-N
XLogP3.60
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2-chlorophenoxy)-5-methyl-1,3-thiazole-4-carboxylic acid (CID 66509643) is 2-(2-chlorophenoxy)-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-chlorophenoxy)-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2-chlorophenoxy)-5-methyl-1,3-thiazole-4-carboxylic acid is Cc1sc(Oc2ccccc2Cl)nc1C(=O)O.
What is the InChIKey of 2-(2-chlorophenoxy)-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is MULYPOXYUIOYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3S/c1-6-9(10(14)15)13-11(17-6)16-8-5-3-2-4-7(8)12/h2-5H,1H3,(H,14,15).
What are the key properties of 2-(2-chlorophenoxy)-5-methyl-1,3-thiazole-4-carboxylic acid?
2-(2-chlorophenoxy)-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 269.71 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66509643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).