4-[[4-[4-(4-methylpyrazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzene-1,2-diol

C19H16N4O2S — CID 59429793

IUPAC4-[[4-[4-(4-methylpyrazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzene-1,2-diol
SMILESCc1cnn(-c2ccc(-c3csc(Nc4ccc(O)c(O)c4)n3)cc2)c1
InChIInChI=1S/C19H16N4O2S/c1-12-9-20-23(10-12)15-5-2-13(3-6-15)16-11-26-19(22-16)21-14-4-7-17(24)18(25)8-14/h2-11,24-25H,1H3,(H,21,22)
InChIKeyFFLXKWRKIANIPU-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.46
Rot. Bonds4

About 4-[[4-[4-(4-methylpyrazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzene-1,2-diol

4-[[4-[4-(4-methylpyrazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzene-1,2-diol (PubChem CID 59429793) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 4-[[4-[4-(4-methylpyrazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzene-1,2-diol.

Molecular Properties

Compound Name4-[[4-[4-(4-methylpyrazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzene-1,2-diol
PubChem CID59429793
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name4-[[4-[4-(4-methylpyrazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzene-1,2-diol
SMILESCc1cnn(-c2ccc(-c3csc(Nc4ccc(O)c(O)c4)n3)cc2)c1
InChIInChI=1S/C19H16N4O2S/c1-12-9-20-23(10-12)15-5-2-13(3-6-15)16-11-26-19(22-16)21-14-4-7-17(24)18(25)8-14/h2-11,24-25H,1H3,(H,21,22)
InChIKeyFFLXKWRKIANIPU-UHFFFAOYSA-N
XLogP4.46
TPSA83.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 4-[[4-[4-(4-methylpyrazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzene-1,2-diol 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-[2-(4-methylanilino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 962878
2-hydroxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 695875
4-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 2928782
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 1075886
4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
CID 1092447
4-(4-iodophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 560642
N-(3,4-dimethylphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 59626916
N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2858486
N-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840281
N-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 3721108
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 753967

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(4-methylpyrazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzene-1,2-diol?
The IUPAC name of 4-[[4-[4-(4-methylpyrazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzene-1,2-diol (CID 59429793) is 4-[[4-[4-(4-methylpyrazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzene-1,2-diol.
What is the SMILES notation for 4-[[4-[4-(4-methylpyrazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzene-1,2-diol?
The canonical SMILES for 4-[[4-[4-(4-methylpyrazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzene-1,2-diol is Cc1cnn(-c2ccc(-c3csc(Nc4ccc(O)c(O)c4)n3)cc2)c1.
What is the InChIKey of 4-[[4-[4-(4-methylpyrazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzene-1,2-diol?
The InChIKey is FFLXKWRKIANIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-12-9-20-23(10-12)15-5-2-13(3-6-15)16-11-26-19(22-16)21-14-4-7-17(24)18(25)8-14/h2-11,24-25H,1H3,(H,21,22).
What are the key properties of 4-[[4-[4-(4-methylpyrazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzene-1,2-diol?
4-[[4-[4-(4-methylpyrazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzene-1,2-diol has a molecular weight of 364.43 g/mol, XLogP of 4.46, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(4-methylpyrazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzene-1,2-diol is sourced from PubChem (CID 59429793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).