2-fluoro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid

C12H10FNO3S — CID 104651304

IUPAC2-fluoro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
SMILESCc1nc(COc2cccc(F)c2C(=O)O)cs1
InChIInChI=1S/C12H10FNO3S/c1-7-14-8(6-18-7)5-17-10-4-2-3-9(13)11(10)12(15)16/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyPMVIVOCZBXPJHG-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.87
Rot. Bonds4

About 2-fluoro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid

2-fluoro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid (PubChem CID 104651304) has the molecular formula C12H10FNO3S and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-fluoro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
PubChem CID104651304
Molecular FormulaC12H10FNO3S
Molecular Weight267.28 g/mol
Exact Mass267.04
IUPAC Name2-fluoro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
SMILESCc1nc(COc2cccc(F)c2C(=O)O)cs1
InChIInChI=1S/C12H10FNO3S/c1-7-14-8(6-18-7)5-17-10-4-2-3-9(13)11(10)12(15)16/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyPMVIVOCZBXPJHG-UHFFFAOYSA-N
XLogP2.87
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-6-fluorobenzoic acid
CID 104651306
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 63338532
3-ethoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 16769058
2-fluoro-6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid
CID 43442748
6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carboxylic acid
CID 79158538
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-3-(trifluoromethyl)benzoic acid
CID 63320748
2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole
CID 60645457
2-fluoro-6-[(2,4,6-trimethylphenyl)methoxy]benzoic acid
CID 107014119
2-fluoro-6-[(4-fluorophenyl)methoxy]benzoic acid
CID 104651324
2-methyl-4-[(2-phenoxyphenoxy)methyl]-1,3-thiazole
CID 23042161
2-fluoro-6-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107013949
4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-2-methyl-1,3-thiazole
CID 112614052

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid?
The IUPAC name of 2-fluoro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid (CID 104651304) is 2-fluoro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid?
The canonical SMILES for 2-fluoro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid is Cc1nc(COc2cccc(F)c2C(=O)O)cs1.
What is the InChIKey of 2-fluoro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid?
The InChIKey is PMVIVOCZBXPJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3S/c1-7-14-8(6-18-7)5-17-10-4-2-3-9(13)11(10)12(15)16/h2-4,6H,5H2,1H3,(H,15,16).
What are the key properties of 2-fluoro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid?
2-fluoro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid has a molecular weight of 267.28 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid is sourced from PubChem (CID 104651304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).