5-fluoro-2-(1,3-thiazol-2-ylamino)benzoic acid

C10H7FN2O2S — CID 82535823

IUPAC5-fluoro-2-(1,3-thiazol-2-ylamino)benzoic acid
SMILESO=C(O)c1cc(F)ccc1Nc1nccs1
InChIInChI=1S/C10H7FN2O2S/c11-6-1-2-8(7(5-6)9(14)15)13-10-12-3-4-16-10/h1-5H,(H,12,13)(H,14,15)
InChIKeyHRGCQPRSBKIFHG-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.72
Rot. Bonds3

About 5-fluoro-2-(1,3-thiazol-2-ylamino)benzoic acid

5-fluoro-2-(1,3-thiazol-2-ylamino)benzoic acid (PubChem CID 82535823) has the molecular formula C10H7FN2O2S and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-fluoro-2-(1,3-thiazol-2-ylamino)benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(1,3-thiazol-2-ylamino)benzoic acid
PubChem CID82535823
Molecular FormulaC10H7FN2O2S
Molecular Weight238.24 g/mol
Exact Mass238.02
IUPAC Name5-fluoro-2-(1,3-thiazol-2-ylamino)benzoic acid
SMILESO=C(O)c1cc(F)ccc1Nc1nccs1
InChIInChI=1S/C10H7FN2O2S/c11-6-1-2-8(7(5-6)9(14)15)13-10-12-3-4-16-10/h1-5H,(H,12,13)(H,14,15)
InChIKeyHRGCQPRSBKIFHG-UHFFFAOYSA-N
XLogP2.72
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-Bromo-1,3-thiazol-2-yl)amino]benzoic acid
CID 16068522
3-[(5-Bromo-1,3-thiazol-2-yl)amino]benzoic acid
CID 16068526
2-[[4-[[2-(Trifluoromethyl)anilino]methyl]benzoyl]amino]-1,3-thiazole-5-carboxylic acid
CID 25121742
2-(4-(5-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)piperazin-1-yl)benzoic acid
CID 52948994
Benzeneacetic acid, alpha-methyl-4-(2-thiazolylamino)-
CID 3044775
4-(1,3-Thiazol-2-ylcarbamoylamino)benzoic acid
CID 326187
2-[[3-Hydroxy-1-oxo-2-(1,3-thiazol-2-yl)isoquinolin-4-yl]methylideneamino]benzoic acid
CID 2390139
4-(Thiazol-2-ylamino)benzoic acid
CID 956695
3-[(1,3-Thiazol-2-yl)amino]benzoic acid
CID 43358936
2-(Thiazol-2-ylamino)-benzo[d][1,3]oxazin-4-one
CID 10586445
2-Fluoro-6-(1,3-thiazol-2-ylcarbamoyl)benzoic acid
CID 177643235
N-(1,3-thiazol-2-yl)-2-[(trifluoroacetyl)amino]benzamide
CID 882368

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1,3-thiazol-2-ylamino)benzoic acid?
The IUPAC name of 5-fluoro-2-(1,3-thiazol-2-ylamino)benzoic acid (CID 82535823) is 5-fluoro-2-(1,3-thiazol-2-ylamino)benzoic acid.
What is the SMILES notation for 5-fluoro-2-(1,3-thiazol-2-ylamino)benzoic acid?
The canonical SMILES for 5-fluoro-2-(1,3-thiazol-2-ylamino)benzoic acid is O=C(O)c1cc(F)ccc1Nc1nccs1.
What is the InChIKey of 5-fluoro-2-(1,3-thiazol-2-ylamino)benzoic acid?
The InChIKey is HRGCQPRSBKIFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2S/c11-6-1-2-8(7(5-6)9(14)15)13-10-12-3-4-16-10/h1-5H,(H,12,13)(H,14,15).
What are the key properties of 5-fluoro-2-(1,3-thiazol-2-ylamino)benzoic acid?
5-fluoro-2-(1,3-thiazol-2-ylamino)benzoic acid has a molecular weight of 238.24 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1,3-thiazol-2-ylamino)benzoic acid is sourced from PubChem (CID 82535823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).