2-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenol

C11H11FN2OS — CID 64792960

IUPAC2-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenol
SMILESCc1ncc(CNc2ccc(O)c(F)c2)s1
InChIInChI=1S/C11H11FN2OS/c1-7-13-5-9(16-7)6-14-8-2-3-11(15)10(12)4-8/h2-5,14-15H,6H2,1H3
InChIKeyKGVXOIUWTZBLFS-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.91
Rot. Bonds3

About 2-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenol

2-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenol (PubChem CID 64792960) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenol.

Molecular Properties

Compound Name2-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenol
PubChem CID64792960
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name2-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenol
SMILESCc1ncc(CNc2ccc(O)c(F)c2)s1
InChIInChI=1S/C11H11FN2OS/c1-7-13-5-9(16-7)6-14-8-2-3-11(15)10(12)4-8/h2-5,14-15H,6H2,1H3
InChIKeyKGVXOIUWTZBLFS-UHFFFAOYSA-N
XLogP2.91
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.91
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-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenol?
The IUPAC name of 2-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenol (CID 64792960) is 2-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenol.
What is the SMILES notation for 2-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenol?
The canonical SMILES for 2-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenol is Cc1ncc(CNc2ccc(O)c(F)c2)s1.
What is the InChIKey of 2-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenol?
The InChIKey is KGVXOIUWTZBLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c1-7-13-5-9(16-7)6-14-8-2-3-11(15)10(12)4-8/h2-5,14-15H,6H2,1H3.
What are the key properties of 2-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenol?
2-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenol has a molecular weight of 238.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenol is sourced from PubChem (CID 64792960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).