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

C13H11FN2O4S — CID 107014284

IUPAC4-fluoro-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid
SMILESCc1csc(NC(=O)COc2cc(F)ccc2C(=O)O)n1
InChIInChI=1S/C13H11FN2O4S/c1-7-6-21-13(15-7)16-11(17)5-20-10-4-8(14)2-3-9(10)12(18)19/h2-4,6H,5H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyZQCJIUOVCMNXDE-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.31
Rot. Bonds5

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

4-fluoro-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid (PubChem CID 107014284) has the molecular formula C13H11FN2O4S and a molecular weight of 310.31 g/mol. Its IUPAC name is 4-fluoro-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid
PubChem CID107014284
Molecular FormulaC13H11FN2O4S
Molecular Weight310.31 g/mol
Exact Mass310.04
IUPAC Name4-fluoro-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid
SMILESCc1csc(NC(=O)COc2cc(F)ccc2C(=O)O)n1
InChIInChI=1S/C13H11FN2O4S/c1-7-6-21-13(15-7)16-11(17)5-20-10-4-8(14)2-3-9(10)12(18)19/h2-4,6H,5H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyZQCJIUOVCMNXDE-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
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
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
Ethyl 2-[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 718551
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
N-[4-(2-methylpropyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide
CID 168287757
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 2490455
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
Methyl 4-(2-(2-(2-fluorophenoxy)acetamido)thiazol-4-yl)benzoate
CID 43951071

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid?
The IUPAC name of 4-fluoro-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid (CID 107014284) is 4-fluoro-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid?
The canonical SMILES for 4-fluoro-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid is Cc1csc(NC(=O)COc2cc(F)ccc2C(=O)O)n1.
What is the InChIKey of 4-fluoro-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid?
The InChIKey is ZQCJIUOVCMNXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4S/c1-7-6-21-13(15-7)16-11(17)5-20-10-4-8(14)2-3-9(10)12(18)19/h2-4,6H,5H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 4-fluoro-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid?
4-fluoro-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid has a molecular weight of 310.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 107014284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).