4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2,6-dimethylphenol

C17H15ClN2OS — CID 25100732

IUPAC4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2,6-dimethylphenol
SMILESCc1cc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc(C)c1O
InChIInChI=1S/C17H15ClN2OS/c1-10-7-14(8-11(2)16(10)21)19-17-20-15(9-22-17)12-3-5-13(18)6-4-12/h3-9,21H,1-2H3,(H,19,20)
InChIKeyVQMADICQUYIKLC-UHFFFAOYSA-N
MW330.84 g/mol
LogP5.53
Rot. Bonds3

About 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2,6-dimethylphenol

4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2,6-dimethylphenol (PubChem CID 25100732) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2,6-dimethylphenol
PubChem CID25100732
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC Name4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2,6-dimethylphenol
SMILESCc1cc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc(C)c1O
InChIInChI=1S/C17H15ClN2OS/c1-10-7-14(8-11(2)16(10)21)19-17-20-15(9-22-17)12-3-5-13(18)6-4-12/h3-9,21H,1-2H3,(H,19,20)
InChIKeyVQMADICQUYIKLC-UHFFFAOYSA-N
XLogP5.53
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.84
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2,6-dimethylphenol?
The IUPAC name of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2,6-dimethylphenol (CID 25100732) is 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2,6-dimethylphenol.
What is the SMILES notation for 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2,6-dimethylphenol?
The canonical SMILES for 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2,6-dimethylphenol is Cc1cc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc(C)c1O.
What is the InChIKey of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2,6-dimethylphenol?
The InChIKey is VQMADICQUYIKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS/c1-10-7-14(8-11(2)16(10)21)19-17-20-15(9-22-17)12-3-5-13(18)6-4-12/h3-9,21H,1-2H3,(H,19,20).
What are the key properties of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2,6-dimethylphenol?
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2,6-dimethylphenol has a molecular weight of 330.84 g/mol, XLogP of 5.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2,6-dimethylphenol is sourced from PubChem (CID 25100732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).