4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole

C19H19FN2O2S — CID 99789465

IUPAC4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole
SMILESCc1nc2ccc(F)cc2c(OCc2csc([C@@H]3CCCO3)n2)c1C
InChIInChI=1S/C19H19FN2O2S/c1-11-12(2)21-16-6-5-13(20)8-15(16)18(11)24-9-14-10-25-19(22-14)17-4-3-7-23-17/h5-6,8,10,17H,3-4,7,9H2,1-2H3/t17-/m0/s1
InChIKeyRFEHTXQKNVCWSJ-KRWDZBQOSA-N
MW358.44 g/mol
LogP4.88
Rot. Bonds4

About 4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole

4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole (PubChem CID 99789465) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole
PubChem CID99789465
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC Name4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole
SMILESCc1nc2ccc(F)cc2c(OCc2csc([C@@H]3CCCO3)n2)c1C
InChIInChI=1S/C19H19FN2O2S/c1-11-12(2)21-16-6-5-13(20)8-15(16)18(11)24-9-14-10-25-19(22-14)17-4-3-7-23-17/h5-6,8,10,17H,3-4,7,9H2,1-2H3/t17-/m0/s1
InChIKeyRFEHTXQKNVCWSJ-KRWDZBQOSA-N
XLogP4.88
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole 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 4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole?
The IUPAC name of 4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole (CID 99789465) is 4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole?
The canonical SMILES for 4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole is Cc1nc2ccc(F)cc2c(OCc2csc([C@@H]3CCCO3)n2)c1C.
What is the InChIKey of 4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole?
The InChIKey is RFEHTXQKNVCWSJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c1-11-12(2)21-16-6-5-13(20)8-15(16)18(11)24-9-14-10-25-19(22-14)17-4-3-7-23-17/h5-6,8,10,17H,3-4,7,9H2,1-2H3/t17-/m0/s1.
What are the key properties of 4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole?
4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole has a molecular weight of 358.44 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole is sourced from PubChem (CID 99789465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).