2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-5,6,7,8-tetrahydroquinoline-5-carbaldehyde

C19H15FN2OS — CID 174523927

IUPAC2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-5,6,7,8-tetrahydroquinoline-5-carbaldehyde
SMILESO=CC1CCCc2nc(-c3ncc(-c4cccc(F)c4)s3)ccc21
InChIInChI=1S/C19H15FN2OS/c20-14-5-1-3-12(9-14)18-10-21-19(24-18)17-8-7-15-13(11-23)4-2-6-16(15)22-17/h1,3,5,7-11,13H,2,4,6H2
InChIKeyVEOZXQMOJJLYAU-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.63
Rot. Bonds3

About 2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-5,6,7,8-tetrahydroquinoline-5-carbaldehyde

2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-5,6,7,8-tetrahydroquinoline-5-carbaldehyde (PubChem CID 174523927) has the molecular formula C19H15FN2OS and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-5,6,7,8-tetrahydroquinoline-5-carbaldehyde.

Molecular Properties

Compound Name2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-5,6,7,8-tetrahydroquinoline-5-carbaldehyde
PubChem CID174523927
Molecular FormulaC19H15FN2OS
Molecular Weight338.41 g/mol
Exact Mass338.09
IUPAC Name2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-5,6,7,8-tetrahydroquinoline-5-carbaldehyde
SMILESO=CC1CCCc2nc(-c3ncc(-c4cccc(F)c4)s3)ccc21
InChIInChI=1S/C19H15FN2OS/c20-14-5-1-3-12(9-14)18-10-21-19(24-18)17-8-7-15-13(11-23)4-2-6-16(15)22-17/h1,3,5,7-11,13H,2,4,6H2
InChIKeyVEOZXQMOJJLYAU-UHFFFAOYSA-N
XLogP4.63
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
CID 11151481
2-[5-(3-fluoro-5-pyridin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
CID 11177087
2-[5-(3-fluoro-5-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
CID 11177263
2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
CID 11244649
2-[5-(3-fluoro-5-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
CID 11292543
2-[5-(3-Fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
CID 11394476
2-[5-(3-Fluorophenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
CID 11416866
3-fluoro-5-[2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,3-thiazol-5-yl]benzonitrile
CID 11450921
2-[5-(3-Fluorophenyl)-1,3-thiazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one
CID 11646036
1-[2-[6-(4-Fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1,3-thiazol-2-yl)ethanone
CID 59149681
4-[3-Fluoro-5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazol-5-yl]phenyl]morpholine
CID 69640443
(1S,2R,3S)-1-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide
CID 72950861

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-5,6,7,8-tetrahydroquinoline-5-carbaldehyde?
The IUPAC name of 2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-5,6,7,8-tetrahydroquinoline-5-carbaldehyde (CID 174523927) is 2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-5,6,7,8-tetrahydroquinoline-5-carbaldehyde.
What is the SMILES notation for 2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-5,6,7,8-tetrahydroquinoline-5-carbaldehyde?
The canonical SMILES for 2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-5,6,7,8-tetrahydroquinoline-5-carbaldehyde is O=CC1CCCc2nc(-c3ncc(-c4cccc(F)c4)s3)ccc21.
What is the InChIKey of 2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-5,6,7,8-tetrahydroquinoline-5-carbaldehyde?
The InChIKey is VEOZXQMOJJLYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2OS/c20-14-5-1-3-12(9-14)18-10-21-19(24-18)17-8-7-15-13(11-23)4-2-6-16(15)22-17/h1,3,5,7-11,13H,2,4,6H2.
What are the key properties of 2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-5,6,7,8-tetrahydroquinoline-5-carbaldehyde?
2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-5,6,7,8-tetrahydroquinoline-5-carbaldehyde has a molecular weight of 338.41 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-5,6,7,8-tetrahydroquinoline-5-carbaldehyde is sourced from PubChem (CID 174523927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).