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

C12H11FN2O2S — CID 79522285

IUPAC2-fluoro-6-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid
SMILESCN(Cc1cscn1)c1cccc(F)c1C(=O)O
InChIInChI=1S/C12H11FN2O2S/c1-15(5-8-6-18-7-14-8)10-4-2-3-9(13)11(10)12(16)17/h2-4,6-7H,5H2,1H3,(H,16,17)
InChIKeyLVZZZNPYUNLXGU-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.62
Rot. Bonds4

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

2-fluoro-6-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid (PubChem CID 79522285) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-fluoro-6-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid
PubChem CID79522285
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name2-fluoro-6-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid
SMILESCN(Cc1cscn1)c1cccc(F)c1C(=O)O
InChIInChI=1S/C12H11FN2O2S/c1-15(5-8-6-18-7-14-8)10-4-2-3-9(13)11(10)12(16)17/h2-4,6-7H,5H2,1H3,(H,16,17)
InChIKeyLVZZZNPYUNLXGU-UHFFFAOYSA-N
XLogP2.62
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-methyl-2-nitro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 47406337
2-fluoro-6-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]benzoic acid
CID 79512320
2,3-difluoro-4-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid
CID 107935631
2-fluoro-6-[methyl(1,3-thiazol-4-ylmethyl)amino]benzonitrile
CID 47406299
1-(2-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
CID 62052817
2-fluoro-6-[furan-2-ylmethyl(methyl)amino]benzoic acid
CID 79522283
2-fluoro-6-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 79522521
1-(3-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
CID 62052236
2-fluoro-6-[methyl(3,3,3-trifluoropropyl)amino]benzoic acid
CID 79512136
1-N-methyl-3-methylsulfonyl-1-N-(1,3-thiazol-4-ylmethyl)benzene-1,2-diamine
CID 82003657
4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzoic acid
CID 54885489
3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
CID 55146900

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid?
The IUPAC name of 2-fluoro-6-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid (CID 79522285) is 2-fluoro-6-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-6-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid is CN(Cc1cscn1)c1cccc(F)c1C(=O)O.
What is the InChIKey of 2-fluoro-6-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid?
The InChIKey is LVZZZNPYUNLXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-15(5-8-6-18-7-14-8)10-4-2-3-9(13)11(10)12(16)17/h2-4,6-7H,5H2,1H3,(H,16,17).
What are the key properties of 2-fluoro-6-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid?
2-fluoro-6-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid has a molecular weight of 266.30 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid is sourced from PubChem (CID 79522285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).