N-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide

C24H26F2N4OS — CID 118303013

IUPACN-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide
SMILESO=C(NCC(c1cnc(C2CCC2)s1)N1CCC(F)(F)CC1)c1cccc2ncccc12
InChIInChI=1S/C24H26F2N4OS/c25-24(26)9-12-30(13-10-24)20(21-15-29-23(32-21)16-4-1-5-16)14-28-22(31)18-6-2-8-19-17(18)7-3-11-27-19/h2-3,6-8,11,15-16,20H,1,4-5,9-10,12-14H2,(H,28,31)
InChIKeyBJIDRYKJAHQQQI-UHFFFAOYSA-N
MW456.56 g/mol
LogP5.16
Rot. Bonds6

About N-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide

N-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide (PubChem CID 118303013) has the molecular formula C24H26F2N4OS and a molecular weight of 456.56 g/mol. Its IUPAC name is N-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide
PubChem CID118303013
Molecular FormulaC24H26F2N4OS
Molecular Weight456.56 g/mol
Exact Mass456.18
IUPAC NameN-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide
SMILESO=C(NCC(c1cnc(C2CCC2)s1)N1CCC(F)(F)CC1)c1cccc2ncccc12
InChIInChI=1S/C24H26F2N4OS/c25-24(26)9-12-30(13-10-24)20(21-15-29-23(32-21)16-4-1-5-16)14-28-22(31)18-6-2-8-19-17(18)7-3-11-27-19/h2-3,6-8,11,15-16,20H,1,4-5,9-10,12-14H2,(H,28,31)
InChIKeyBJIDRYKJAHQQQI-UHFFFAOYSA-N
XLogP5.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.56
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide with MolForge

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Related Compounds

7-[(4-Methylpiperazin-1-yl)carbonyl]-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10194805
N,N-diethyl-2-oxo-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinoline-5-carboxamide
CID 10237742
Quinoline derivative 5
CID 89554809
N-[[(2S,3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-methylpiperidin-2-yl]methyl]quinoline-8-carboxamide
CID 70681619
N-[[1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
CID 70683740
N-[[(2S)-4,4-difluoro-1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
CID 70683743
N-[[(2S,3R)-3-methyl-1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
CID 70685887
N-[[(2S,3R)-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)-3-(trifluoromethyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
CID 70688011
N-[[(2S,3R)-3-methyl-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
CID 70690041
N-[[(2S,3S)-3-methyl-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
CID 70694255
Piperidin-1-yl-[3-(1,3-thiazol-2-yl)quinoxalin-6-yl]methanone
CID 135300402
N-benzyl-3-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylamino]benzamide
CID 137639895

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide?
The IUPAC name of N-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide (CID 118303013) is N-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide.
What is the SMILES notation for N-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide?
The canonical SMILES for N-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide is O=C(NCC(c1cnc(C2CCC2)s1)N1CCC(F)(F)CC1)c1cccc2ncccc12.
What is the InChIKey of N-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide?
The InChIKey is BJIDRYKJAHQQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4OS/c25-24(26)9-12-30(13-10-24)20(21-15-29-23(32-21)16-4-1-5-16)14-28-22(31)18-6-2-8-19-17(18)7-3-11-27-19/h2-3,6-8,11,15-16,20H,1,4-5,9-10,12-14H2,(H,28,31).
What are the key properties of N-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide?
N-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide has a molecular weight of 456.56 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide is sourced from PubChem (CID 118303013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).