3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride

C24H26ClFN2O2S — CID 20555921

IUPAC3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCc1ccc2c(c1)C(=C1CCN(CCN3CCOC3=O)CC1)c1ccc(F)cc1S2.Cl
InChIInChI=1S/C24H25FN2O2S.ClH/c1-16-2-5-21-20(14-16)23(19-4-3-18(25)15-22(19)30-21)17-6-8-26(9-7-17)10-11-27-12-13-29-24(27)28;/h2-5,14-15H,6-13H2,1H3;1H
InChIKeyNKLWDDUCFDXIOT-UHFFFAOYSA-N
MW461.00 g/mol
LogP5.37
Rot. Bonds3

About 3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride

3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 20555921) has the molecular formula C24H26ClFN2O2S and a molecular weight of 461.00 g/mol. Its IUPAC name is 3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride
PubChem CID20555921
Molecular FormulaC24H26ClFN2O2S
Molecular Weight461.00 g/mol
Exact Mass460.14
IUPAC Name3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCc1ccc2c(c1)C(=C1CCN(CCN3CCOC3=O)CC1)c1ccc(F)cc1S2.Cl
InChIInChI=1S/C24H25FN2O2S.ClH/c1-16-2-5-21-20(14-16)23(19-4-3-18(25)15-22(19)30-21)17-6-8-26(9-7-17)10-11-27-12-13-29-24(27)28;/h2-5,14-15H,6-13H2,1H3;1H
InChIKeyNKLWDDUCFDXIOT-UHFFFAOYSA-N
XLogP5.37
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.00
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_B(8)', 'substructure': 'N/A'}

Analyze 3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of 3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride (CID 20555921) is 3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for 3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for 3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride is Cc1ccc2c(c1)C(=C1CCN(CCN3CCOC3=O)CC1)c1ccc(F)cc1S2.Cl.
What is the InChIKey of 3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is NKLWDDUCFDXIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2S.ClH/c1-16-2-5-21-20(14-16)23(19-4-3-18(25)15-22(19)30-21)17-6-8-26(9-7-17)10-11-27-12-13-29-24(27)28;/h2-5,14-15H,6-13H2,1H3;1H.
What are the key properties of 3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride?
3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 461.00 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(6-fluoro-2-methylthioxanthen-9-ylidene)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 20555921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).