N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide

C21H19ClFN3OS — CID 22198853

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCC1CCc2cc(F)ccc2N1CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C21H19ClFN3OS/c1-13-2-3-15-10-17(23)8-9-19(15)26(13)11-20(27)25-21-24-18(12-28-21)14-4-6-16(22)7-5-14/h4-10,12-13H,2-3,11H2,1H3,(H,24,25,27)
InChIKeyYEYFAYCZTYXMLY-UHFFFAOYSA-N
MW415.92 g/mol
LogP5.38
Rot. Bonds4

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide (PubChem CID 22198853) has the molecular formula C21H19ClFN3OS and a molecular weight of 415.92 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
PubChem CID22198853
Molecular FormulaC21H19ClFN3OS
Molecular Weight415.92 g/mol
Exact Mass415.09
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCC1CCc2cc(F)ccc2N1CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C21H19ClFN3OS/c1-13-2-3-15-10-17(23)8-9-19(15)26(13)11-20(27)25-21-24-18(12-28-21)14-4-6-16(22)7-5-14/h4-10,12-13H,2-3,11H2,1H3,(H,24,25,27)
InChIKeyYEYFAYCZTYXMLY-UHFFFAOYSA-N
XLogP5.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.92
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 17282538
N-[(4-chlorophenyl)methyl]-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 22198970
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylpiperidin-1-yl)acetamide
CID 24593653
N-(3,4-dimethylphenyl)-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 22198955
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 18886850
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 3218991
2-(2,6-dimethylpiperidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22197873
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(2S)-2-methylmorpholin-4-yl]acetamide
CID 30254150
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1133114
cis-(1S,2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 8838993
2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22195400
2-(4-benzylpiperazin-1-yl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 22198171

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide (CID 22198853) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide is CC1CCc2cc(F)ccc2N1CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The InChIKey is YEYFAYCZTYXMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3OS/c1-13-2-3-15-10-17(23)8-9-19(15)26(13)11-20(27)25-21-24-18(12-28-21)14-4-6-16(22)7-5-14/h4-10,12-13H,2-3,11H2,1H3,(H,24,25,27).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide has a molecular weight of 415.92 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide is sourced from PubChem (CID 22198853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).