1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanol

C11H11FN2OS — CID 82685101

IUPAC1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanol
SMILESNc1ccc(F)cc1C(O)Cc1nccs1
InChIInChI=1S/C11H11FN2OS/c12-7-1-2-9(13)8(5-7)10(15)6-11-14-3-4-16-11/h1-5,10,15H,6,13H2
InChIKeyYSNWWQDYDZLEEK-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.14
Rot. Bonds3

About 1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanol

1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanol (PubChem CID 82685101) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanol
PubChem CID82685101
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanol
SMILESNc1ccc(F)cc1C(O)Cc1nccs1
InChIInChI=1S/C11H11FN2OS/c12-7-1-2-9(13)8(5-7)10(15)6-11-14-3-4-16-11/h1-5,10,15H,6,13H2
InChIKeyYSNWWQDYDZLEEK-UHFFFAOYSA-N
XLogP2.14
TPSA59.14 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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanol (CID 82685101) is 1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanol is Nc1ccc(F)cc1C(O)Cc1nccs1.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanol?
The InChIKey is YSNWWQDYDZLEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c12-7-1-2-9(13)8(5-7)10(15)6-11-14-3-4-16-11/h1-5,10,15H,6,13H2.
What are the key properties of 1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanol?
1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanol has a molecular weight of 238.29 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 82685101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).