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

C12H10FNO3S — CID 107014172

IUPAC4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzoic acid
SMILESCc1csc(COc2cc(F)ccc2C(=O)O)n1
InChIInChI=1S/C12H10FNO3S/c1-7-6-18-11(14-7)5-17-10-4-8(13)2-3-9(10)12(15)16/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyALJFMVDCNBUYDO-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.87
Rot. Bonds4

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

4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzoic acid (PubChem CID 107014172) has the molecular formula C12H10FNO3S and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzoic acid
PubChem CID107014172
Molecular FormulaC12H10FNO3S
Molecular Weight267.28 g/mol
Exact Mass267.04
IUPAC Name4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzoic acid
SMILESCc1csc(COc2cc(F)ccc2C(=O)O)n1
InChIInChI=1S/C12H10FNO3S/c1-7-6-18-11(14-7)5-17-10-4-8(13)2-3-9(10)12(15)16/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyALJFMVDCNBUYDO-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

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Related Compounds

2-[2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetic acid
CID 80741744
N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 107695622
5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid
CID 115298178
4-fluoro-2-(fluoromethoxy)benzoic acid
CID 175294892
2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide;ethane
CID 143542941
N-(3-fluorophenyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094316
4-fluoro-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 107014381
N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 107696407
2-[(2-ethoxyphenyl)methoxy]-4-fluorobenzoic acid
CID 107014311
4-(chloromethyl)-2-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole
CID 102982901
4-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzoic acid
CID 107014367
4-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 102980015

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzoic acid?
The IUPAC name of 4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzoic acid (CID 107014172) is 4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzoic acid?
The canonical SMILES for 4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzoic acid is Cc1csc(COc2cc(F)ccc2C(=O)O)n1.
What is the InChIKey of 4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzoic acid?
The InChIKey is ALJFMVDCNBUYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3S/c1-7-6-18-11(14-7)5-17-10-4-8(13)2-3-9(10)12(15)16/h2-4,6H,5H2,1H3,(H,15,16).
What are the key properties of 4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzoic acid?
4-fluoro-2-[(4-methyl-1,3-thiazol-2-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 4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzoic acid is sourced from PubChem (CID 107014172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).