N-[2-(3-ethylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-8-carboxamide;N-propylpropan-1-amine

C29H33N5OS — CID 143844956

IUPACN-[2-(3-ethylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-8-carboxamide;N-propylpropan-1-amine
SMILESCCCNCCC.CCc1csc2nc(-c3ccccc3NC(=O)c3cccc4cccnc34)cn12
InChIInChI=1S/C23H18N4OS.C6H15N/c1-2-16-14-29-23-26-20(13-27(16)23)17-9-3-4-11-19(17)25-22(28)18-10-5-7-15-8-6-12-24-21(15)18;1-3-5-7-6-4-2/h3-14H,2H2,1H3,(H,25,28);7H,3-6H2,1-2H3
InChIKeyBIIFFTHKGYPCIY-UHFFFAOYSA-N
MW499.68 g/mol
LogP6.82
Rot. Bonds8

About N-[2-(3-ethylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-8-carboxamide;N-propylpropan-1-amine

N-[2-(3-ethylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-8-carboxamide;N-propylpropan-1-amine (PubChem CID 143844956) has the molecular formula C29H33N5OS and a molecular weight of 499.68 g/mol. Its IUPAC name is N-[2-(3-ethylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-8-carboxamide;N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(3-ethylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-8-carboxamide;N-propylpropan-1-amine
PubChem CID143844956
Molecular FormulaC29H33N5OS
Molecular Weight499.68 g/mol
Exact Mass499.24
IUPAC NameN-[2-(3-ethylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-8-carboxamide;N-propylpropan-1-amine
SMILESCCCNCCC.CCc1csc2nc(-c3ccccc3NC(=O)c3cccc4cccnc34)cn12
InChIInChI=1S/C23H18N4OS.C6H15N/c1-2-16-14-29-23-26-20(13-27(16)23)17-9-3-4-11-19(17)25-22(28)18-10-5-7-15-8-6-12-24-21(15)18;1-3-5-7-6-4-2/h3-14H,2H2,1H3,(H,25,28);7H,3-6H2,1-2H3
InChIKeyBIIFFTHKGYPCIY-UHFFFAOYSA-N
XLogP6.82
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.68
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(3-ethylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-8-carboxamide;N-propylpropan-1-amine with MolForge

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Related Compounds

2-[[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-N-propylbenzamide
CID 24555467
N-[2-(hydroxymethyl)phenyl]quinoline-8-carboxamide
CID 61497887
N-(2-bromophenyl)quinoline-8-carboxamide
CID 60651885
N-(8-methylquinolin-5-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 38281701
N-(2,3-dimethylphenyl)quinoline-8-carboxamide
CID 30267815
N-[2-(4-ethylpiperazin-1-yl)phenyl]quinoline-8-carboxamide
CID 99147654
3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-propylpropanamide
CID 30940092
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 90626104
2-(aminomethyl)-N-quinolin-8-ylbenzamide
CID 82546402
4-methylsulfanyl-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 59680148
N-pyrimidin-2-ylquinoline-8-carboxamide
CID 175780986
3-N-propyl-1-N-quinolin-8-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066145

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-8-carboxamide;N-propylpropan-1-amine?
The IUPAC name of N-[2-(3-ethylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-8-carboxamide;N-propylpropan-1-amine (CID 143844956) is N-[2-(3-ethylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-8-carboxamide;N-propylpropan-1-amine.
What is the SMILES notation for N-[2-(3-ethylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-8-carboxamide;N-propylpropan-1-amine?
The canonical SMILES for N-[2-(3-ethylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-8-carboxamide;N-propylpropan-1-amine is CCCNCCC.CCc1csc2nc(-c3ccccc3NC(=O)c3cccc4cccnc34)cn12.
What is the InChIKey of N-[2-(3-ethylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-8-carboxamide;N-propylpropan-1-amine?
The InChIKey is BIIFFTHKGYPCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4OS.C6H15N/c1-2-16-14-29-23-26-20(13-27(16)23)17-9-3-4-11-19(17)25-22(28)18-10-5-7-15-8-6-12-24-21(15)18;1-3-5-7-6-4-2/h3-14H,2H2,1H3,(H,25,28);7H,3-6H2,1-2H3.
What are the key properties of N-[2-(3-ethylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-8-carboxamide;N-propylpropan-1-amine?
N-[2-(3-ethylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-8-carboxamide;N-propylpropan-1-amine has a molecular weight of 499.68 g/mol, XLogP of 6.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-8-carboxamide;N-propylpropan-1-amine is sourced from PubChem (CID 143844956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).