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

C12H11FN2O2S — CID 82539161

IUPAC2-fluoro-5-[2-(1,3-thiazol-2-yl)ethylamino]benzoic acid
SMILESO=C(O)c1cc(NCCc2nccs2)ccc1F
InChIInChI=1S/C12H11FN2O2S/c13-10-2-1-8(7-9(10)12(16)17)14-4-3-11-15-5-6-18-11/h1-2,5-7,14H,3-4H2,(H,16,17)
InChIKeyDIXRMAYFNAKIPF-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.63
Rot. Bonds5

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

2-fluoro-5-[2-(1,3-thiazol-2-yl)ethylamino]benzoic acid (PubChem CID 82539161) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-fluoro-5-[2-(1,3-thiazol-2-yl)ethylamino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[2-(1,3-thiazol-2-yl)ethylamino]benzoic acid
PubChem CID82539161
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name2-fluoro-5-[2-(1,3-thiazol-2-yl)ethylamino]benzoic acid
SMILESO=C(O)c1cc(NCCc2nccs2)ccc1F
InChIInChI=1S/C12H11FN2O2S/c13-10-2-1-8(7-9(10)12(16)17)14-4-3-11-15-5-6-18-11/h1-2,5-7,14H,3-4H2,(H,16,17)
InChIKeyDIXRMAYFNAKIPF-UHFFFAOYSA-N
XLogP2.63
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-fluoro-5-(1,3-thiazol-2-ylmethylamino)benzoate
CID 63655799
4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]benzoic acid
CID 63242172
5-(2-carboxyethylamino)-2-fluorobenzoic acid
CID 82539644
2-fluoro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 64993384
2-fluoro-5-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107029530
4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2,4-triamine
CID 106750805
5-[(3-aminothiophen-2-yl)methylamino]-2-fluorobenzoic acid
CID 66385758
2-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carboxylic acid
CID 55219063
3,5-dichloro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
CID 94282162
4-chloro-2-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]benzoic acid
CID 63240493
2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49356336
2-amino-4-[2-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
CID 79466616

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[2-(1,3-thiazol-2-yl)ethylamino]benzoic acid?
The IUPAC name of 2-fluoro-5-[2-(1,3-thiazol-2-yl)ethylamino]benzoic acid (CID 82539161) is 2-fluoro-5-[2-(1,3-thiazol-2-yl)ethylamino]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[2-(1,3-thiazol-2-yl)ethylamino]benzoic acid?
The canonical SMILES for 2-fluoro-5-[2-(1,3-thiazol-2-yl)ethylamino]benzoic acid is O=C(O)c1cc(NCCc2nccs2)ccc1F.
What is the InChIKey of 2-fluoro-5-[2-(1,3-thiazol-2-yl)ethylamino]benzoic acid?
The InChIKey is DIXRMAYFNAKIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c13-10-2-1-8(7-9(10)12(16)17)14-4-3-11-15-5-6-18-11/h1-2,5-7,14H,3-4H2,(H,16,17).
What are the key properties of 2-fluoro-5-[2-(1,3-thiazol-2-yl)ethylamino]benzoic acid?
2-fluoro-5-[2-(1,3-thiazol-2-yl)ethylamino]benzoic acid has a molecular weight of 266.30 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[2-(1,3-thiazol-2-yl)ethylamino]benzoic acid is sourced from PubChem (CID 82539161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).