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

C17H12FN2O3S- — CID 54704766

IUPAC2-carboxy-5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenolate
SMILESCc1cc(-c2csc(Nc3ccc(C(=O)O)c([O-])c3)n2)ccc1F
InChIInChI=1S/C17H13FN2O3S/c1-9-6-10(2-5-13(9)18)14-8-24-17(20-14)19-11-3-4-12(16(22)23)15(21)7-11/h2-8,21H,1H3,(H,19,20)(H,22,23)/p-1
InChIKeyLKZZDHKJFDTYCH-UHFFFAOYSA-M
MW343.36 g/mol
LogP3.77
Rot. Bonds4

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

2-carboxy-5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenolate (PubChem CID 54704766) has the molecular formula C17H12FN2O3S- and a molecular weight of 343.36 g/mol. Its IUPAC name is 2-carboxy-5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenolate.

Molecular Properties

Compound Name2-carboxy-5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenolate
PubChem CID54704766
Molecular FormulaC17H12FN2O3S-
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC Name2-carboxy-5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenolate
SMILESCc1cc(-c2csc(Nc3ccc(C(=O)O)c([O-])c3)n2)ccc1F
InChIInChI=1S/C17H13FN2O3S/c1-9-6-10(2-5-13(9)18)14-8-24-17(20-14)19-11-3-4-12(16(22)23)15(21)7-11/h2-8,21H,1H3,(H,19,20)(H,22,23)/p-1
InChIKeyLKZZDHKJFDTYCH-UHFFFAOYSA-M
XLogP3.77
TPSA85.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-carboxy-5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-{[4-(4-Fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid
CID 695906
4-{[4-(2-Methoxyphenyl)-1,3-thiazol-2-yl]amino}benzoic acid
CID 24776309
4-{[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid
CID 2212684
2-hydroxy-4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]benzoic Acid
CID 7328982
4-[(4-Phenyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 877536
3-[2-(2-Methylanilino)-1,3-thiazol-4-yl]benzoic acid
CID 147535030
NF-|E| cent activator 1
CID 151901137
2-Hydroxy-4-(4-pyridin-3-yl-thiazol-2-ylamino)-benzoic acid
CID 972853
3-{[4-(2,4-Dihydroxyphenyl)-1,3-thiazol-2-yl]amino}benzoic acid
CID 705543
4-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
CID 2215046
4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzoic Acid
CID 2384167
4-[(4-Phenyl-1,3-thiazol-2-yl)amino]benzoic acid hydrobromide
CID 2877404

Frequently Asked Questions

What is the IUPAC name of 2-carboxy-5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenolate?
The IUPAC name of 2-carboxy-5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenolate (CID 54704766) is 2-carboxy-5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenolate.
What is the SMILES notation for 2-carboxy-5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenolate?
The canonical SMILES for 2-carboxy-5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenolate is Cc1cc(-c2csc(Nc3ccc(C(=O)O)c([O-])c3)n2)ccc1F.
What is the InChIKey of 2-carboxy-5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenolate?
The InChIKey is LKZZDHKJFDTYCH-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H13FN2O3S/c1-9-6-10(2-5-13(9)18)14-8-24-17(20-14)19-11-3-4-12(16(22)23)15(21)7-11/h2-8,21H,1H3,(H,19,20)(H,22,23)/p-1.
What are the key properties of 2-carboxy-5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenolate?
2-carboxy-5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenolate has a molecular weight of 343.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxy-5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenolate is sourced from PubChem (CID 54704766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).