2-fluoro-4-(1,3-thiazol-5-ylmethylamino)phenol

C10H9FN2OS — CID 64795213

IUPAC2-fluoro-4-(1,3-thiazol-5-ylmethylamino)phenol
SMILESOc1ccc(NCc2cncs2)cc1F
InChIInChI=1S/C10H9FN2OS/c11-9-3-7(1-2-10(9)14)13-5-8-4-12-6-15-8/h1-4,6,13-14H,5H2
InChIKeyBLHOPFDPHLQLRI-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.60
Rot. Bonds3

About 2-fluoro-4-(1,3-thiazol-5-ylmethylamino)phenol

2-fluoro-4-(1,3-thiazol-5-ylmethylamino)phenol (PubChem CID 64795213) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-fluoro-4-(1,3-thiazol-5-ylmethylamino)phenol.

Molecular Properties

Compound Name2-fluoro-4-(1,3-thiazol-5-ylmethylamino)phenol
PubChem CID64795213
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name2-fluoro-4-(1,3-thiazol-5-ylmethylamino)phenol
SMILESOc1ccc(NCc2cncs2)cc1F
InChIInChI=1S/C10H9FN2OS/c11-9-3-7(1-2-10(9)14)13-5-8-4-12-6-15-8/h1-4,6,13-14H,5H2
InChIKeyBLHOPFDPHLQLRI-UHFFFAOYSA-N
XLogP2.60
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.60
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-(1,3-thiazol-5-ylmethylamino)phenol?
The IUPAC name of 2-fluoro-4-(1,3-thiazol-5-ylmethylamino)phenol (CID 64795213) is 2-fluoro-4-(1,3-thiazol-5-ylmethylamino)phenol.
What is the SMILES notation for 2-fluoro-4-(1,3-thiazol-5-ylmethylamino)phenol?
The canonical SMILES for 2-fluoro-4-(1,3-thiazol-5-ylmethylamino)phenol is Oc1ccc(NCc2cncs2)cc1F.
What is the InChIKey of 2-fluoro-4-(1,3-thiazol-5-ylmethylamino)phenol?
The InChIKey is BLHOPFDPHLQLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c11-9-3-7(1-2-10(9)14)13-5-8-4-12-6-15-8/h1-4,6,13-14H,5H2.
What are the key properties of 2-fluoro-4-(1,3-thiazol-5-ylmethylamino)phenol?
2-fluoro-4-(1,3-thiazol-5-ylmethylamino)phenol has a molecular weight of 224.26 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1,3-thiazol-5-ylmethylamino)phenol is sourced from PubChem (CID 64795213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).