5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid

C17H13FN2O3S — CID 695909

IUPAC5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
SMILESCc1cc(-c2csc(Nc3ccc(O)c(C(=O)O)c3)n2)ccc1F
InChIInChI=1S/C17H13FN2O3S/c1-9-6-10(2-4-13(9)18)14-8-24-17(20-14)19-11-3-5-15(21)12(7-11)16(22)23/h2-8,21H,1H3,(H,19,20)(H,22,23)
InChIKeyDWAINWKRTMYUJP-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.41
Rot. Bonds4

About 5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid

5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid (PubChem CID 695909) has the molecular formula C17H13FN2O3S and a molecular weight of 344.37 g/mol. Its IUPAC name is 5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
PubChem CID695909
Molecular FormulaC17H13FN2O3S
Molecular Weight344.37 g/mol
Exact Mass344.06
IUPAC Name5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
SMILESCc1cc(-c2csc(Nc3ccc(O)c(C(=O)O)c3)n2)ccc1F
InChIInChI=1S/C17H13FN2O3S/c1-9-6-10(2-4-13(9)18)14-8-24-17(20-14)19-11-3-5-15(21)12(7-11)16(22)23/h2-8,21H,1H3,(H,19,20)(H,22,23)
InChIKeyDWAINWKRTMYUJP-UHFFFAOYSA-N
XLogP4.41
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 695901
1-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564276
5-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
CID 695891
2-hydroxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 695875
5-[2-(4-benzylanilino)-1,3-thiazol-4-yl]-2-hydroxybenzoic acid
CID 11516941
4-(4-fluoro-3-methylphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
CID 5230087
4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
CID 1092447
4-[2-(4-methylanilino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 962878
N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2858486
4-(4-fluoro-3-methylphenyl)-1,3-thiazole-2-carboxamide
CID 116967907
N-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2859307
3-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenol
CID 873220

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid (CID 695909) is 5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid is Cc1cc(-c2csc(Nc3ccc(O)c(C(=O)O)c3)n2)ccc1F.
What is the InChIKey of 5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid?
The InChIKey is DWAINWKRTMYUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3S/c1-9-6-10(2-4-13(9)18)14-8-24-17(20-14)19-11-3-5-15(21)12(7-11)16(22)23/h2-8,21H,1H3,(H,19,20)(H,22,23).
What are the key properties of 5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid?
5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid has a molecular weight of 344.37 g/mol, XLogP of 4.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 695909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).