4-chloro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid

C11H8ClNO3S — CID 61396038

IUPAC4-chloro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid
SMILESCc1csc(Oc2cc(Cl)ccc2C(=O)O)n1
InChIInChI=1S/C11H8ClNO3S/c1-6-5-17-11(13-6)16-9-4-7(12)2-3-8(9)10(14)15/h2-5H,1H3,(H,14,15)
InChIKeyOSOYVNWKVFUFFA-UHFFFAOYSA-N
MW269.71 g/mol
LogP3.60
Rot. Bonds3

About 4-chloro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid

4-chloro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid (PubChem CID 61396038) has the molecular formula C11H8ClNO3S and a molecular weight of 269.71 g/mol. Its IUPAC name is 4-chloro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid
PubChem CID61396038
Molecular FormulaC11H8ClNO3S
Molecular Weight269.71 g/mol
Exact Mass268.99
IUPAC Name4-chloro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid
SMILESCc1csc(Oc2cc(Cl)ccc2C(=O)O)n1
InChIInChI=1S/C11H8ClNO3S/c1-6-5-17-11(13-6)16-9-4-7(12)2-3-8(9)10(14)15/h2-5H,1H3,(H,14,15)
InChIKeyOSOYVNWKVFUFFA-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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Related Compounds

5-chloro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid
CID 61395722
2-[(4-chloro-1,3-thiazol-2-yl)oxy]-4-methylbenzoic acid
CID 83156055
5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid
CID 115298178
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-4-chlorobenzoic acid
CID 65274956
4-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid
CID 15611931
2-(4-chlorophenoxy)-4-methyl-1,3-thiazole
CID 117189244
4-chloro-2-(4-cyano-6-methylpyrimidin-2-yl)oxybenzoic acid
CID 107553002
3-[(4-methyl-1,3-thiazol-2-yl)oxy]pyridine-2-carboxylic acid
CID 61396203
2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzamide
CID 142116921
5-chloro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid
CID 65273212
4-[(4-methyl-1,3-thiazol-2-yl)oxy]thiophene-2-carboxylic acid
CID 66437150
4-chloro-2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]benzoic acid
CID 105363210

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid?
The IUPAC name of 4-chloro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid (CID 61396038) is 4-chloro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid?
The canonical SMILES for 4-chloro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid is Cc1csc(Oc2cc(Cl)ccc2C(=O)O)n1.
What is the InChIKey of 4-chloro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid?
The InChIKey is OSOYVNWKVFUFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3S/c1-6-5-17-11(13-6)16-9-4-7(12)2-3-8(9)10(14)15/h2-5H,1H3,(H,14,15).
What are the key properties of 4-chloro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid?
4-chloro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic 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 4-chloro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid is sourced from PubChem (CID 61396038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).