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

C11H8BrNO4S — CID 79732438

IUPAC3-[(4-bromo-1,3-thiazol-2-yl)oxy]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1Oc1nc(Br)cs1
InChIInChI=1S/C11H8BrNO4S/c1-16-7-3-2-6(10(14)15)4-8(7)17-11-13-9(12)5-18-11/h2-5H,1H3,(H,14,15)
InChIKeySVISKTUNADNDGH-UHFFFAOYSA-N
MW330.16 g/mol
LogP3.40
Rot. Bonds4

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

3-[(4-bromo-1,3-thiazol-2-yl)oxy]-4-methoxybenzoic acid (PubChem CID 79732438) has the molecular formula C11H8BrNO4S and a molecular weight of 330.16 g/mol. Its IUPAC name is 3-[(4-bromo-1,3-thiazol-2-yl)oxy]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-[(4-bromo-1,3-thiazol-2-yl)oxy]-4-methoxybenzoic acid
PubChem CID79732438
Molecular FormulaC11H8BrNO4S
Molecular Weight330.16 g/mol
Exact Mass328.94
IUPAC Name3-[(4-bromo-1,3-thiazol-2-yl)oxy]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1Oc1nc(Br)cs1
InChIInChI=1S/C11H8BrNO4S/c1-16-7-3-2-6(10(14)15)4-8(7)17-11-13-9(12)5-18-11/h2-5H,1H3,(H,14,15)
InChIKeySVISKTUNADNDGH-UHFFFAOYSA-N
XLogP3.40
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.16
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,6-dimethylpyrimidin-2-yl)oxy-4-methoxybenzoic acid
CID 79732948
4-methoxy-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]benzoic acid
CID 114450108
3,4-dimethoxybenzoic acid;methanol
CID 144580050
4-[(4-chloro-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid
CID 107672857
4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid
CID 107672862
4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-3-methoxybenzoic acid
CID 65275348
4-methoxy-3-(1,3-thiazol-4-yl)benzoic acid
CID 97033863
4-methoxy-3-pyrazin-2-yloxybenzoic acid
CID 79732439
3-methoxy-4-(5-methylpyrimidin-2-yl)oxybenzoic acid
CID 55161660
2-[(4-chloro-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid
CID 83155338
2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid
CID 62961025
4-bromo-2-(2-iodophenoxy)-1,3-thiazole
CID 79399841

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-1,3-thiazol-2-yl)oxy]-4-methoxybenzoic acid?
The IUPAC name of 3-[(4-bromo-1,3-thiazol-2-yl)oxy]-4-methoxybenzoic acid (CID 79732438) is 3-[(4-bromo-1,3-thiazol-2-yl)oxy]-4-methoxybenzoic acid.
What is the SMILES notation for 3-[(4-bromo-1,3-thiazol-2-yl)oxy]-4-methoxybenzoic acid?
The canonical SMILES for 3-[(4-bromo-1,3-thiazol-2-yl)oxy]-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1Oc1nc(Br)cs1.
What is the InChIKey of 3-[(4-bromo-1,3-thiazol-2-yl)oxy]-4-methoxybenzoic acid?
The InChIKey is SVISKTUNADNDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO4S/c1-16-7-3-2-6(10(14)15)4-8(7)17-11-13-9(12)5-18-11/h2-5H,1H3,(H,14,15).
What are the key properties of 3-[(4-bromo-1,3-thiazol-2-yl)oxy]-4-methoxybenzoic acid?
3-[(4-bromo-1,3-thiazol-2-yl)oxy]-4-methoxybenzoic acid has a molecular weight of 330.16 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-1,3-thiazol-2-yl)oxy]-4-methoxybenzoic acid is sourced from PubChem (CID 79732438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).