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

C15H13FN2OS — CID 82685328

IUPAC1-(2-amino-5-fluorophenyl)-2-(1,3-benzothiazol-2-yl)ethanol
SMILESNc1ccc(F)cc1C(O)Cc1nc2ccccc2s1
InChIInChI=1S/C15H13FN2OS/c16-9-5-6-11(17)10(7-9)13(19)8-15-18-12-3-1-2-4-14(12)20-15/h1-7,13,19H,8,17H2
InChIKeyHPPURQBIGHIUQA-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.29
Rot. Bonds3

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

1-(2-amino-5-fluorophenyl)-2-(1,3-benzothiazol-2-yl)ethanol (PubChem CID 82685328) has the molecular formula C15H13FN2OS and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenyl)-2-(1,3-benzothiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)-2-(1,3-benzothiazol-2-yl)ethanol
PubChem CID82685328
Molecular FormulaC15H13FN2OS
Molecular Weight288.35 g/mol
Exact Mass288.07
IUPAC Name1-(2-amino-5-fluorophenyl)-2-(1,3-benzothiazol-2-yl)ethanol
SMILESNc1ccc(F)cc1C(O)Cc1nc2ccccc2s1
InChIInChI=1S/C15H13FN2OS/c16-9-5-6-11(17)10(7-9)13(19)8-15-18-12-3-1-2-4-14(12)20-15/h1-7,13,19H,8,17H2
InChIKeyHPPURQBIGHIUQA-UHFFFAOYSA-N
XLogP3.29
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-amino-5-fluorophenyl)-2-(1,3-benzothiazol-2-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-benzothiazol-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 79819016
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-fluoroaniline
CID 104631203
2-(1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)ethanol
CID 79205491
2-(1,3-benzothiazol-2-yl)-1-phenylethanol
CID 15556945
1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 82685101
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-fluoroaniline
CID 104631179
2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanol
CID 66459666
1-(2-amino-5-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 82682714
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol
CID 110897729
2-(1,3-benzothiazol-2-yl)-1-(4-methylthiophen-3-yl)ethanol
CID 79818416
2-(1,3-benzothiazol-2-yl)-1-(4-bromo-3-fluorophenyl)ethanol
CID 66460480
2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanol
CID 66461877

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluorophenyl)-2-(1,3-benzothiazol-2-yl)ethanol?
The IUPAC name of 1-(2-amino-5-fluorophenyl)-2-(1,3-benzothiazol-2-yl)ethanol (CID 82685328) is 1-(2-amino-5-fluorophenyl)-2-(1,3-benzothiazol-2-yl)ethanol.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)-2-(1,3-benzothiazol-2-yl)ethanol?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)-2-(1,3-benzothiazol-2-yl)ethanol is Nc1ccc(F)cc1C(O)Cc1nc2ccccc2s1.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)-2-(1,3-benzothiazol-2-yl)ethanol?
The InChIKey is HPPURQBIGHIUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS/c16-9-5-6-11(17)10(7-9)13(19)8-15-18-12-3-1-2-4-14(12)20-15/h1-7,13,19H,8,17H2.
What are the key properties of 1-(2-amino-5-fluorophenyl)-2-(1,3-benzothiazol-2-yl)ethanol?
1-(2-amino-5-fluorophenyl)-2-(1,3-benzothiazol-2-yl)ethanol has a molecular weight of 288.35 g/mol, XLogP of 3.29, 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-benzothiazol-2-yl)ethanol is sourced from PubChem (CID 82685328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).