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

C18H16N2O3S — CID 695891

IUPAC5-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
SMILESCc1ccc(C)c(-c2csc(Nc3ccc(O)c(C(=O)O)c3)n2)c1
InChIInChI=1S/C18H16N2O3S/c1-10-3-4-11(2)13(7-10)15-9-24-18(20-15)19-12-5-6-16(21)14(8-12)17(22)23/h3-9,21H,1-2H3,(H,19,20)(H,22,23)
InChIKeyFTEFWKWWPUHYIB-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.57
Rot. Bonds4

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

5-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid (PubChem CID 695891) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 5-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
PubChem CID695891
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name5-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
SMILESCc1ccc(C)c(-c2csc(Nc3ccc(O)c(C(=O)O)c3)n2)c1
InChIInChI=1S/C18H16N2O3S/c1-10-3-4-11(2)13(7-10)15-9-24-18(20-15)19-12-5-6-16(21)14(8-12)17(22)23/h3-9,21H,1-2H3,(H,19,20)(H,22,23)
InChIKeyFTEFWKWWPUHYIB-UHFFFAOYSA-N
XLogP4.57
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.57
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

5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
CID 695909
2-hydroxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 695875
1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 4182966
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 735052
4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
CID 2215046
3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrochloride
CID 2870199
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 4670180
3-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]sulfamoyl]benzoic acid
CID 25335438
4-(2-fluoro-5-methylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 71396303
4-[[4-(2,5-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 87078168
4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
CID 1092447
5-[2-(4-benzylanilino)-1,3-thiazol-4-yl]-2-hydroxybenzoic acid
CID 11516941

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid (CID 695891) is 5-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid is Cc1ccc(C)c(-c2csc(Nc3ccc(O)c(C(=O)O)c3)n2)c1.
What is the InChIKey of 5-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid?
The InChIKey is FTEFWKWWPUHYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-10-3-4-11(2)13(7-10)15-9-24-18(20-15)19-12-5-6-16(21)14(8-12)17(22)23/h3-9,21H,1-2H3,(H,19,20)(H,22,23).
What are the key properties of 5-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid?
5-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid has a molecular weight of 340.40 g/mol, XLogP of 4.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 695891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).