2-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid

C13H11FN2O4S — CID 107013574

IUPAC2-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNC(=O)c2c(O)cccc2F)sc1C(=O)O
InChIInChI=1S/C13H11FN2O4S/c1-6-11(13(19)20)21-9(16-6)5-15-12(18)10-7(14)3-2-4-8(10)17/h2-4,17H,5H2,1H3,(H,15,18)(H,19,20)
InChIKeyUMYCLXGGJYOJJW-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.92
Rot. Bonds4

About 2-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 107013574) has the molecular formula C13H11FN2O4S and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID107013574
Molecular FormulaC13H11FN2O4S
Molecular Weight310.31 g/mol
Exact Mass310.04
IUPAC Name2-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNC(=O)c2c(O)cccc2F)sc1C(=O)O
InChIInChI=1S/C13H11FN2O4S/c1-6-11(13(19)20)21-9(16-6)5-15-12(18)10-7(14)3-2-4-8(10)17/h2-4,17H,5H2,1H3,(H,15,18)(H,19,20)
InChIKeyUMYCLXGGJYOJJW-UHFFFAOYSA-N
XLogP1.92
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(6-fluoropyridine-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 115496429
2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629822
2-[[(4-chloro-2-fluorobenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628476
2-[[(2,5-dihydroxybenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 107721667
2-[[(4-hydroxybenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629996
2-[[(3-aminobenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629183
4-methyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63628129
2-[(3-aminopropanoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63627979
2-[[(2-fluorophenyl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628148
2-[[(2,5-dibromothiophene-3-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 103953886
2-fluoro-6-hydroxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 104916777
2-[2-[(2-fluoro-6-hydroxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 107013694

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 107013574) is 2-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(CNC(=O)c2c(O)cccc2F)sc1C(=O)O.
What is the InChIKey of 2-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is UMYCLXGGJYOJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4S/c1-6-11(13(19)20)21-9(16-6)5-15-12(18)10-7(14)3-2-4-8(10)17/h2-4,17H,5H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 2-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 310.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 107013574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).