1-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]-2-hydroxyethanethione

C15H16FN3OS — CID 135128508

IUPAC1-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]-2-hydroxyethanethione
SMILESOCC(=S)N1CCN(c2ccc3cc(F)ccc3n2)CC1
InChIInChI=1S/C15H16FN3OS/c16-12-2-3-13-11(9-12)1-4-14(17-13)18-5-7-19(8-6-18)15(21)10-20/h1-4,9,20H,5-8,10H2
InChIKeyDFAWKCDIUYZLTM-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.82
Rot. Bonds2

About 1-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]-2-hydroxyethanethione

1-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]-2-hydroxyethanethione (PubChem CID 135128508) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]-2-hydroxyethanethione.

Molecular Properties

Compound Name1-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]-2-hydroxyethanethione
PubChem CID135128508
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC Name1-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]-2-hydroxyethanethione
SMILESOCC(=S)N1CCN(c2ccc3cc(F)ccc3n2)CC1
InChIInChI=1S/C15H16FN3OS/c16-12-2-3-13-11(9-12)1-4-14(17-13)18-5-7-19(8-6-18)15(21)10-20/h1-4,9,20H,5-8,10H2
InChIKeyDFAWKCDIUYZLTM-UHFFFAOYSA-N
XLogP1.82
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]-2-hydroxyethanethione 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-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]acetic acid
CID 82166158
2-[4-(6-aminoquinolin-2-yl)piperazin-1-yl]ethanol
CID 43501326
4-(6-hydroxyquinolin-2-yl)piperazine-1-carboxylic acid
CID 174713975
1-(6-fluoroquinolin-2-yl)-4-(2-methylpyrazol-3-yl)piperidin-4-ol
CID 167770616
1-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone
CID 74766775
2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 4310270
2-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]quinoline
CID 133315726
2-(6-fluoroquinolin-2-yl)-1-piperidin-1-ylethanone
CID 110490426
phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 23879424
2-piperidin-1-yl-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 567081
3-[4-(6-methylquinolin-2-yl)piperazin-1-yl]propan-1-amine
CID 82166206
(6-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 110464452

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]-2-hydroxyethanethione?
The IUPAC name of 1-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]-2-hydroxyethanethione (CID 135128508) is 1-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]-2-hydroxyethanethione.
What is the SMILES notation for 1-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]-2-hydroxyethanethione?
The canonical SMILES for 1-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]-2-hydroxyethanethione is OCC(=S)N1CCN(c2ccc3cc(F)ccc3n2)CC1.
What is the InChIKey of 1-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]-2-hydroxyethanethione?
The InChIKey is DFAWKCDIUYZLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3OS/c16-12-2-3-13-11(9-12)1-4-14(17-13)18-5-7-19(8-6-18)15(21)10-20/h1-4,9,20H,5-8,10H2.
What are the key properties of 1-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]-2-hydroxyethanethione?
1-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]-2-hydroxyethanethione has a molecular weight of 305.38 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]-2-hydroxyethanethione is sourced from PubChem (CID 135128508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).