2-fluoro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoic acid

C12H11FN2O2S — CID 64993384

IUPAC2-fluoro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoic acid
SMILESCC(Nc1ccc(F)c(C(=O)O)c1)c1nccs1
InChIInChI=1S/C12H11FN2O2S/c1-7(11-14-4-5-18-11)15-8-2-3-10(13)9(6-8)12(16)17/h2-7,15H,1H3,(H,16,17)
InChIKeyHXPUNLUVRDSTNO-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.15
Rot. Bonds4

About 2-fluoro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoic acid

2-fluoro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoic acid (PubChem CID 64993384) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-fluoro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoic acid
PubChem CID64993384
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name2-fluoro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoic acid
SMILESCC(Nc1ccc(F)c(C(=O)O)c1)c1nccs1
InChIInChI=1S/C12H11FN2O2S/c1-7(11-14-4-5-18-11)15-8-2-3-10(13)9(6-8)12(16)17/h2-7,15H,1H3,(H,16,17)
InChIKeyHXPUNLUVRDSTNO-UHFFFAOYSA-N
XLogP3.15
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-chloro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoate
CID 64993310
5-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 115490965
N-[4-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide
CID 64988274
2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine
CID 64993719
3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid
CID 80516783
2-fluoro-5-[2-(1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 82539161
methyl 4-fluoro-3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate
CID 64993515
2-fluoro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43727966
2-fluoro-4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 113319865
methyl 3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate
CID 64993607
2-methyl-4-[1-(1,3-thiazol-2-yl)propylamino]benzoic acid
CID 81282204
4-phenyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993028

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoic acid?
The IUPAC name of 2-fluoro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoic acid (CID 64993384) is 2-fluoro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoic acid?
The canonical SMILES for 2-fluoro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoic acid is CC(Nc1ccc(F)c(C(=O)O)c1)c1nccs1.
What is the InChIKey of 2-fluoro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoic acid?
The InChIKey is HXPUNLUVRDSTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-7(11-14-4-5-18-11)15-8-2-3-10(13)9(6-8)12(16)17/h2-7,15H,1H3,(H,16,17).
What are the key properties of 2-fluoro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoic acid?
2-fluoro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoic acid has a molecular weight of 266.30 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoic acid is sourced from PubChem (CID 64993384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).