2-[(2-acetamido-1,3-thiazol-4-yl)methoxy]-5-fluorobenzoic acid

C13H11FN2O4S — CID 115297888

IUPAC2-[(2-acetamido-1,3-thiazol-4-yl)methoxy]-5-fluorobenzoic acid
SMILESCC(=O)Nc1nc(COc2ccc(F)cc2C(=O)O)cs1
InChIInChI=1S/C13H11FN2O4S/c1-7(17)15-13-16-9(6-21-13)5-20-11-3-2-8(14)4-10(11)12(18)19/h2-4,6H,5H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyYNLYAYGLLUSEBW-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.52
Rot. Bonds5

About 2-[(2-acetamido-1,3-thiazol-4-yl)methoxy]-5-fluorobenzoic acid

2-[(2-acetamido-1,3-thiazol-4-yl)methoxy]-5-fluorobenzoic acid (PubChem CID 115297888) has the molecular formula C13H11FN2O4S and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-[(2-acetamido-1,3-thiazol-4-yl)methoxy]-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(2-acetamido-1,3-thiazol-4-yl)methoxy]-5-fluorobenzoic acid
PubChem CID115297888
Molecular FormulaC13H11FN2O4S
Molecular Weight310.31 g/mol
Exact Mass310.04
IUPAC Name2-[(2-acetamido-1,3-thiazol-4-yl)methoxy]-5-fluorobenzoic acid
SMILESCC(=O)Nc1nc(COc2ccc(F)cc2C(=O)O)cs1
InChIInChI=1S/C13H11FN2O4S/c1-7(17)15-13-16-9(6-21-13)5-20-11-3-2-8(14)4-10(11)12(18)19/h2-4,6H,5H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyYNLYAYGLLUSEBW-UHFFFAOYSA-N
XLogP2.52
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-oxo-4H-chromene-2-carboxamido)thiazole-4-carboxylate
CID 3386436
Ethyl 2-[2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 3548924
2-fluoro-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide
CID 4626253
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-propanoylphenoxy)acetamide
CID 2101250
[2-[[4-(Trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
CID 57394845
N-(4-methyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide
CID 41548926
4-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)chromene-2-carboxamide
CID 41588384
Ethyl 2-[2-[(2-acetoxybenzoyl)amino]thiazol-4-yl]acetate
CID 5185384
N-(4-(((4-fluorobenzyl)thio)methyl)thiazol-2-yl)-4-oxo-4H-chromene-2-carboxamide
CID 16850176
Ethyl 2-(2-(trifluoromethoxy)benzamido)thiazole-4-carboxylate
CID 90019732
2-(2-(Trifluoromethoxy)benzamido)thiazole-4-carboxylic acid
CID 90020278
Methyl 3,3,3-trifluoro-2-[(2-methoxybenzoyl)amino]-2-[(4-methyl-1,3-thiazol-2-yl)amino]propanoate
CID 584725

Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetamido-1,3-thiazol-4-yl)methoxy]-5-fluorobenzoic acid?
The IUPAC name of 2-[(2-acetamido-1,3-thiazol-4-yl)methoxy]-5-fluorobenzoic acid (CID 115297888) is 2-[(2-acetamido-1,3-thiazol-4-yl)methoxy]-5-fluorobenzoic acid.
What is the SMILES notation for 2-[(2-acetamido-1,3-thiazol-4-yl)methoxy]-5-fluorobenzoic acid?
The canonical SMILES for 2-[(2-acetamido-1,3-thiazol-4-yl)methoxy]-5-fluorobenzoic acid is CC(=O)Nc1nc(COc2ccc(F)cc2C(=O)O)cs1.
What is the InChIKey of 2-[(2-acetamido-1,3-thiazol-4-yl)methoxy]-5-fluorobenzoic acid?
The InChIKey is YNLYAYGLLUSEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4S/c1-7(17)15-13-16-9(6-21-13)5-20-11-3-2-8(14)4-10(11)12(18)19/h2-4,6H,5H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[(2-acetamido-1,3-thiazol-4-yl)methoxy]-5-fluorobenzoic acid?
2-[(2-acetamido-1,3-thiazol-4-yl)methoxy]-5-fluorobenzoic acid has a molecular weight of 310.31 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetamido-1,3-thiazol-4-yl)methoxy]-5-fluorobenzoic acid is sourced from PubChem (CID 115297888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).