5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(5-methoxypentyl)-4-methyl-1,3-thiazol-2-amine

C23H35N5OS — CID 87595986

IUPAC5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(5-methoxypentyl)-4-methyl-1,3-thiazol-2-amine
SMILESCCC(CC)c1cc(C)nn2c(-c3sc(NCCCCCOC)nc3C)c(C)nc12
InChIInChI=1S/C23H35N5OS/c1-7-18(8-2)19-14-15(3)27-28-20(16(4)25-22(19)28)21-17(5)26-23(30-21)24-12-10-9-11-13-29-6/h14,18H,7-13H2,1-6H3,(H,24,26)
InChIKeyOAZUOWJVRARZJU-UHFFFAOYSA-N
MW429.63 g/mol
LogP5.91
Rot. Bonds11

About 5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(5-methoxypentyl)-4-methyl-1,3-thiazol-2-amine

5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(5-methoxypentyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 87595986) has the molecular formula C23H35N5OS and a molecular weight of 429.63 g/mol. Its IUPAC name is 5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(5-methoxypentyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(5-methoxypentyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID87595986
Molecular FormulaC23H35N5OS
Molecular Weight429.63 g/mol
Exact Mass429.26
IUPAC Name5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(5-methoxypentyl)-4-methyl-1,3-thiazol-2-amine
SMILESCCC(CC)c1cc(C)nn2c(-c3sc(NCCCCCOC)nc3C)c(C)nc12
InChIInChI=1S/C23H35N5OS/c1-7-18(8-2)19-14-15(3)27-28-20(16(4)25-22(19)28)21-17(5)26-23(30-21)24-12-10-9-11-13-29-6/h14,18H,7-13H2,1-6H3,(H,24,26)
InChIKeyOAZUOWJVRARZJU-UHFFFAOYSA-N
XLogP5.91
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.63
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-N-pentan-3-yl-1,3-thiazol-2-amine
CID 87595703
5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-1,3-thiazole-2-carboxylic acid
CID 142781761
3-chloro-2-[2-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)thiophen-3-yl]-2H-1,3-thiazole
CID 87597181
3-[8-(diethoxymethyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine
CID 68855507
N-(3-methoxypropyl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56900581
4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine
CID 114131177
N',N'-diethyl-N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]propane-1,3-diamine
CID 106558822
2-(3-methoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9154626
N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3-methoxypropan-1-amine
CID 43205172
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine
CID 65169160
1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine
CID 106578866
4-methyl-N-nonyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 159455966

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(5-methoxypentyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(5-methoxypentyl)-4-methyl-1,3-thiazol-2-amine (CID 87595986) is 5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(5-methoxypentyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(5-methoxypentyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(5-methoxypentyl)-4-methyl-1,3-thiazol-2-amine is CCC(CC)c1cc(C)nn2c(-c3sc(NCCCCCOC)nc3C)c(C)nc12.
What is the InChIKey of 5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(5-methoxypentyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is OAZUOWJVRARZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5OS/c1-7-18(8-2)19-14-15(3)27-28-20(16(4)25-22(19)28)21-17(5)26-23(30-21)24-12-10-9-11-13-29-6/h14,18H,7-13H2,1-6H3,(H,24,26).
What are the key properties of 5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(5-methoxypentyl)-4-methyl-1,3-thiazol-2-amine?
5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(5-methoxypentyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 429.63 g/mol, XLogP of 5.91, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(5-methoxypentyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 87595986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).