2-[(4-chloro-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid

C11H8ClNO4S — CID 83155338

IUPAC2-[(4-chloro-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid
SMILESCOc1ccc(Oc2nc(Cl)cs2)c(C(=O)O)c1
InChIInChI=1S/C11H8ClNO4S/c1-16-6-2-3-8(7(4-6)10(14)15)17-11-13-9(12)5-18-11/h2-5H,1H3,(H,14,15)
InChIKeyQIHJHVVZRBGCDX-UHFFFAOYSA-N
MW285.71 g/mol
LogP3.30
Rot. Bonds4

About 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid

2-[(4-chloro-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid (PubChem CID 83155338) has the molecular formula C11H8ClNO4S and a molecular weight of 285.71 g/mol. Its IUPAC name is 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(4-chloro-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid
PubChem CID83155338
Molecular FormulaC11H8ClNO4S
Molecular Weight285.71 g/mol
Exact Mass284.99
IUPAC Name2-[(4-chloro-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid
SMILESCOc1ccc(Oc2nc(Cl)cs2)c(C(=O)O)c1
InChIInChI=1S/C11H8ClNO4S/c1-16-6-2-3-8(7(4-6)10(14)15)17-11-13-9(12)5-18-11/h2-5H,1H3,(H,14,15)
InChIKeyQIHJHVVZRBGCDX-UHFFFAOYSA-N
XLogP3.30
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.71
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid
CID 62961025
4-chloro-2-(4-methoxy-2-nitrophenoxy)-1,3-thiazole
CID 83152267
4-[(4-chloro-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid
CID 107672857
5-chloro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid
CID 61395722
2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxybenzoic acid
CID 114838080
2-(2-bromo-4-methoxyphenoxy)-5-chlorobenzoic acid
CID 104706931
5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid
CID 115298178
2-butoxy-5-methoxybenzoic acid
CID 43213162
2-[4-[(4-chloro-1,3-thiazol-2-yl)oxy]phenyl]acetic acid
CID 83155571
4-chloro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid
CID 61396038
2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzoic acid
CID 107016422
5-methoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 61037478

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid?
The IUPAC name of 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid (CID 83155338) is 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid.
What is the SMILES notation for 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid?
The canonical SMILES for 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid is COc1ccc(Oc2nc(Cl)cs2)c(C(=O)O)c1.
What is the InChIKey of 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid?
The InChIKey is QIHJHVVZRBGCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO4S/c1-16-6-2-3-8(7(4-6)10(14)15)17-11-13-9(12)5-18-11/h2-5H,1H3,(H,14,15).
What are the key properties of 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid?
2-[(4-chloro-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid has a molecular weight of 285.71 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid is sourced from PubChem (CID 83155338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).