2-(1-ethoxyethyl)-4-[[4-(8-fluoro-2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole

C22H27FN4OS — CID 133368265

IUPAC2-(1-ethoxyethyl)-4-[[4-(8-fluoro-2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCCOC(C)c1nc(CN2CCN(c3cc(C)nc4c(F)cccc34)CC2)cs1
InChIInChI=1S/C22H27FN4OS/c1-4-28-16(3)22-25-17(14-29-22)13-26-8-10-27(11-9-26)20-12-15(2)24-21-18(20)6-5-7-19(21)23/h5-7,12,14,16H,4,8-11,13H2,1-3H3
InChIKeyFXBUMNIFCDDOEM-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.56
Rot. Bonds6

About 2-(1-ethoxyethyl)-4-[[4-(8-fluoro-2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole

2-(1-ethoxyethyl)-4-[[4-(8-fluoro-2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 133368265) has the molecular formula C22H27FN4OS and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-4-[[4-(8-fluoro-2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-4-[[4-(8-fluoro-2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID133368265
Molecular FormulaC22H27FN4OS
Molecular Weight414.55 g/mol
Exact Mass414.19
IUPAC Name2-(1-ethoxyethyl)-4-[[4-(8-fluoro-2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCCOC(C)c1nc(CN2CCN(c3cc(C)nc4c(F)cccc34)CC2)cs1
InChIInChI=1S/C22H27FN4OS/c1-4-28-16(3)22-25-17(14-29-22)13-26-8-10-27(11-9-26)20-12-15(2)24-21-18(20)6-5-7-19(21)23/h5-7,12,14,16H,4,8-11,13H2,1-3H3
InChIKeyFXBUMNIFCDDOEM-UHFFFAOYSA-N
XLogP4.56
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1-ethoxyethyl)-4-[[4-(8-fluoro-2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

8-fluoro-2-methyl-4-(4-propyl-1,4-diazepan-1-yl)quinoline
CID 133388826
2-(1-ethoxyethyl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 122157188
8-fluoro-2-methyl-4-piperazin-1-ylquinoline
CID 39732499
4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 154828993
4-(aminomethyl)-1-(8-fluoro-2-methylquinolin-4-yl)piperidin-4-ol
CID 136548281
1-[4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704760
1-[4-[[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-3-methylbut-2-en-1-one
CID 96566929
8-fluoro-4-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]-2-methylquinoline
CID 133387080
[1-(8-fluoro-2-methylquinolin-4-yl)-4-phenylpiperidin-4-yl]methanol
CID 167867904
2-[4-[2-(1-ethoxyethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-6-fluorobenzonitrile
CID 155948414
4-(6-azaspiro[3.4]octan-6-yl)-8-fluoro-2-methylquinoline
CID 133369048
8-fluoro-2-methyl-4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline
CID 133368435

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethyl)-4-[[4-(8-fluoro-2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-(1-ethoxyethyl)-4-[[4-(8-fluoro-2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole (CID 133368265) is 2-(1-ethoxyethyl)-4-[[4-(8-fluoro-2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-(1-ethoxyethyl)-4-[[4-(8-fluoro-2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-(1-ethoxyethyl)-4-[[4-(8-fluoro-2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole is CCOC(C)c1nc(CN2CCN(c3cc(C)nc4c(F)cccc34)CC2)cs1.
What is the InChIKey of 2-(1-ethoxyethyl)-4-[[4-(8-fluoro-2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is FXBUMNIFCDDOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4OS/c1-4-28-16(3)22-25-17(14-29-22)13-26-8-10-27(11-9-26)20-12-15(2)24-21-18(20)6-5-7-19(21)23/h5-7,12,14,16H,4,8-11,13H2,1-3H3.
What are the key properties of 2-(1-ethoxyethyl)-4-[[4-(8-fluoro-2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole?
2-(1-ethoxyethyl)-4-[[4-(8-fluoro-2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 414.55 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-4-[[4-(8-fluoro-2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 133368265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).