2-hydroxy-5-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid

C18H16N2O4S — CID 1192043

IUPAC2-hydroxy-5-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
SMILESCOc1ccc(-c2csc(Nc3ccc(O)c(C(=O)O)c3)n2)cc1C
InChIInChI=1S/C18H16N2O4S/c1-10-7-11(3-6-16(10)24-2)14-9-25-18(20-14)19-12-4-5-15(21)13(8-12)17(22)23/h3-9,21H,1-2H3,(H,19,20)(H,22,23)
InChIKeyJKAHVAHFZKSBFC-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.27
Rot. Bonds5

About 2-hydroxy-5-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid

2-hydroxy-5-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid (PubChem CID 1192043) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-hydroxy-5-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
PubChem CID1192043
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Name2-hydroxy-5-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
SMILESCOc1ccc(-c2csc(Nc3ccc(O)c(C(=O)O)c3)n2)cc1C
InChIInChI=1S/C18H16N2O4S/c1-10-7-11(3-6-16(10)24-2)14-9-25-18(20-14)19-12-4-5-15(21)13(8-12)17(22)23/h3-9,21H,1-2H3,(H,19,20)(H,22,23)
InChIKeyJKAHVAHFZKSBFC-UHFFFAOYSA-N
XLogP4.27
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid?
The IUPAC name of 2-hydroxy-5-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid (CID 1192043) is 2-hydroxy-5-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid is COc1ccc(-c2csc(Nc3ccc(O)c(C(=O)O)c3)n2)cc1C.
What is the InChIKey of 2-hydroxy-5-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid?
The InChIKey is JKAHVAHFZKSBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-10-7-11(3-6-16(10)24-2)14-9-25-18(20-14)19-12-4-5-15(21)13(8-12)17(22)23/h3-9,21H,1-2H3,(H,19,20)(H,22,23).
What are the key properties of 2-hydroxy-5-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid?
2-hydroxy-5-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid has a molecular weight of 356.40 g/mol, XLogP of 4.27, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid is sourced from PubChem (CID 1192043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).