2-chloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-6-methylphenol

C16H12ClFN2OS — CID 25100733

IUPAC2-chloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-6-methylphenol
SMILESCc1cc(Nc2nc(-c3ccc(F)cc3)cs2)cc(Cl)c1O
InChIInChI=1S/C16H12ClFN2OS/c1-9-6-12(7-13(17)15(9)21)19-16-20-14(8-22-16)10-2-4-11(18)5-3-10/h2-8,21H,1H3,(H,19,20)
InChIKeyNWSYSMBKETYUNP-UHFFFAOYSA-N
MW334.80 g/mol
LogP5.36
Rot. Bonds3

About 2-chloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-6-methylphenol

2-chloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-6-methylphenol (PubChem CID 25100733) has the molecular formula C16H12ClFN2OS and a molecular weight of 334.80 g/mol. Its IUPAC name is 2-chloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-6-methylphenol.

Molecular Properties

Compound Name2-chloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-6-methylphenol
PubChem CID25100733
Molecular FormulaC16H12ClFN2OS
Molecular Weight334.80 g/mol
Exact Mass334.03
IUPAC Name2-chloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-6-methylphenol
SMILESCc1cc(Nc2nc(-c3ccc(F)cc3)cs2)cc(Cl)c1O
InChIInChI=1S/C16H12ClFN2OS/c1-9-6-12(7-13(17)15(9)21)19-16-20-14(8-22-16)10-2-4-11(18)5-3-10/h2-8,21H,1H3,(H,19,20)
InChIKeyNWSYSMBKETYUNP-UHFFFAOYSA-N
XLogP5.36
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.80
LogP ≤ 55.36
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 2-chloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-6-methylphenol?
The IUPAC name of 2-chloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-6-methylphenol (CID 25100733) is 2-chloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-6-methylphenol.
What is the SMILES notation for 2-chloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-6-methylphenol?
The canonical SMILES for 2-chloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-6-methylphenol is Cc1cc(Nc2nc(-c3ccc(F)cc3)cs2)cc(Cl)c1O.
What is the InChIKey of 2-chloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-6-methylphenol?
The InChIKey is NWSYSMBKETYUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2OS/c1-9-6-12(7-13(17)15(9)21)19-16-20-14(8-22-16)10-2-4-11(18)5-3-10/h2-8,21H,1H3,(H,19,20).
What are the key properties of 2-chloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-6-methylphenol?
2-chloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-6-methylphenol has a molecular weight of 334.80 g/mol, XLogP of 5.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-6-methylphenol is sourced from PubChem (CID 25100733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).