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

C11H8ClNO3S — CID 83156055

IUPAC2-[(4-chloro-1,3-thiazol-2-yl)oxy]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(Oc2nc(Cl)cs2)c1
InChIInChI=1S/C11H8ClNO3S/c1-6-2-3-7(10(14)15)8(4-6)16-11-13-9(12)5-17-11/h2-5H,1H3,(H,14,15)
InChIKeySKBOZKYIMFYPMT-UHFFFAOYSA-N
MW269.71 g/mol
LogP3.60
Rot. Bonds3

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

2-[(4-chloro-1,3-thiazol-2-yl)oxy]-4-methylbenzoic acid (PubChem CID 83156055) has the molecular formula C11H8ClNO3S and a molecular weight of 269.71 g/mol. Its IUPAC name is 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-4-methylbenzoic acid.

Molecular Properties

Compound Name2-[(4-chloro-1,3-thiazol-2-yl)oxy]-4-methylbenzoic acid
PubChem CID83156055
Molecular FormulaC11H8ClNO3S
Molecular Weight269.71 g/mol
Exact Mass268.99
IUPAC Name2-[(4-chloro-1,3-thiazol-2-yl)oxy]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(Oc2nc(Cl)cs2)c1
InChIInChI=1S/C11H8ClNO3S/c1-6-2-3-7(10(14)15)8(4-6)16-11-13-9(12)5-17-11/h2-5H,1H3,(H,14,15)
InChIKeySKBOZKYIMFYPMT-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

4-chloro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid
CID 61396038
3-[(4-chloro-1,3-thiazol-2-yl)oxy]pyridine-4-carboxylic acid
CID 83156671
2-[(4-chloro-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid
CID 83155338
4-[(4-chloro-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid
CID 107672857
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-4-methylbenzoic acid
CID 65275406
5-chloro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid
CID 61395722
6-chloro-2-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid
CID 55183255
4-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]benzoic acid
CID 114450096
2-(4-methoxyphenoxy)-4-methylbenzoic acid
CID 55107428
2-(3-chlorophenoxy)-4-methylbenzoic acid
CID 55107381
4-methyl-2-pyrimidin-2-yloxybenzoic acid
CID 61395843
4-chloro-2-(2,4,5-trichlorophenoxy)-1,3-thiazole
CID 83153457

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-4-methylbenzoic acid?
The IUPAC name of 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-4-methylbenzoic acid (CID 83156055) is 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-4-methylbenzoic acid.
What is the SMILES notation for 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-4-methylbenzoic acid?
The canonical SMILES for 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-4-methylbenzoic acid is Cc1ccc(C(=O)O)c(Oc2nc(Cl)cs2)c1.
What is the InChIKey of 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-4-methylbenzoic acid?
The InChIKey is SKBOZKYIMFYPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3S/c1-6-2-3-7(10(14)15)8(4-6)16-11-13-9(12)5-17-11/h2-5H,1H3,(H,14,15).
What are the key properties of 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-4-methylbenzoic acid?
2-[(4-chloro-1,3-thiazol-2-yl)oxy]-4-methylbenzoic 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-[(4-chloro-1,3-thiazol-2-yl)oxy]-4-methylbenzoic acid is sourced from PubChem (CID 83156055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).