5-chloro-2-(1,3-thiazol-2-yloxy)benzoic acid

C10H6ClNO3S — CID 61395721

IUPAC5-chloro-2-(1,3-thiazol-2-yloxy)benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1Oc1nccs1
InChIInChI=1S/C10H6ClNO3S/c11-6-1-2-8(7(5-6)9(13)14)15-10-12-3-4-16-10/h1-5H,(H,13,14)
InChIKeyYXLUWTKNHLKZSV-UHFFFAOYSA-N
MW255.68 g/mol
LogP3.29
Rot. Bonds3

About 5-chloro-2-(1,3-thiazol-2-yloxy)benzoic acid

5-chloro-2-(1,3-thiazol-2-yloxy)benzoic acid (PubChem CID 61395721) has the molecular formula C10H6ClNO3S and a molecular weight of 255.68 g/mol. Its IUPAC name is 5-chloro-2-(1,3-thiazol-2-yloxy)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(1,3-thiazol-2-yloxy)benzoic acid
PubChem CID61395721
Molecular FormulaC10H6ClNO3S
Molecular Weight255.68 g/mol
Exact Mass254.98
IUPAC Name5-chloro-2-(1,3-thiazol-2-yloxy)benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1Oc1nccs1
InChIInChI=1S/C10H6ClNO3S/c11-6-1-2-8(7(5-6)9(13)14)15-10-12-3-4-16-10/h1-5H,(H,13,14)
InChIKeyYXLUWTKNHLKZSV-UHFFFAOYSA-N
XLogP3.29
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-thiazol-2-yloxy)naphthalene-2-carboxylic acid
CID 61395519
5-chloro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid
CID 61395722
5-chloro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid
CID 65273212
5-chloro-2-[(3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 62733253
5-chloro-2-(5-iodopyrimidin-2-yl)oxybenzoic acid
CID 116649327
2-[(3-bromo-4-pyridinyl)oxy]-5-chlorobenzoic acid
CID 113452226
5-chloro-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 66330074
5-chloro-2-(4-methyl-3-oxopyrazin-2-yl)oxybenzoic acid
CID 62940447
5-chloro-2-(4-iodophenoxy)benzoic acid
CID 63459076
2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid
CID 63459250
5-chloro-2-ethoxybenzoic acid;tungsten
CID 58176486
2-[2-chloro-3-methyl-4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid
CID 12785136

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1,3-thiazol-2-yloxy)benzoic acid?
The IUPAC name of 5-chloro-2-(1,3-thiazol-2-yloxy)benzoic acid (CID 61395721) is 5-chloro-2-(1,3-thiazol-2-yloxy)benzoic acid.
What is the SMILES notation for 5-chloro-2-(1,3-thiazol-2-yloxy)benzoic acid?
The canonical SMILES for 5-chloro-2-(1,3-thiazol-2-yloxy)benzoic acid is O=C(O)c1cc(Cl)ccc1Oc1nccs1.
What is the InChIKey of 5-chloro-2-(1,3-thiazol-2-yloxy)benzoic acid?
The InChIKey is YXLUWTKNHLKZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO3S/c11-6-1-2-8(7(5-6)9(13)14)15-10-12-3-4-16-10/h1-5H,(H,13,14).
What are the key properties of 5-chloro-2-(1,3-thiazol-2-yloxy)benzoic acid?
5-chloro-2-(1,3-thiazol-2-yloxy)benzoic acid has a molecular weight of 255.68 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1,3-thiazol-2-yloxy)benzoic acid is sourced from PubChem (CID 61395721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).