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

C22H33N5S — CID 87595703

IUPAC5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-N-pentan-3-yl-1,3-thiazol-2-amine
SMILESCCC(CC)Nc1nc(C)c(-c2c(C)nc3c(C(CC)CC)cc(C)nn23)s1
InChIInChI=1S/C22H33N5S/c1-8-16(9-2)18-12-13(5)26-27-19(14(6)23-21(18)27)20-15(7)24-22(28-20)25-17(10-3)11-4/h12,16-17H,8-11H2,1-7H3,(H,24,25)
InChIKeyIRPYFGTZSODKIX-UHFFFAOYSA-N
MW399.61 g/mol
LogP6.28
Rot. Bonds8

About 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

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 (PubChem CID 87595703) has the molecular formula C22H33N5S and a molecular weight of 399.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-N-pentan-3-yl-1,3-thiazol-2-amine
PubChem CID87595703
Molecular FormulaC22H33N5S
Molecular Weight399.61 g/mol
Exact Mass399.25
IUPAC Name5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-N-pentan-3-yl-1,3-thiazol-2-amine
SMILESCCC(CC)Nc1nc(C)c(-c2c(C)nc3c(C(CC)CC)cc(C)nn23)s1
InChIInChI=1S/C22H33N5S/c1-8-16(9-2)18-12-13(5)26-27-19(14(6)23-21(18)27)20-15(7)24-22(28-20)25-17(10-3)11-4/h12,16-17H,8-11H2,1-7H3,(H,24,25)
InChIKeyIRPYFGTZSODKIX-UHFFFAOYSA-N
XLogP6.28
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.61
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-1,3-thiazole-2-carboxylic acid
CID 142781761
5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride
CID 141238451
5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-2-[[(Z)-prop-1-enyl]sulfanylmethyl]-1,3-thiazole
CID 143298235
3-[[5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-1,3-thiazol-2-yl]-methylamino]propanenitrile
CID 68841682
5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-methyl-N-propyl-1,3-thiazol-2-amine
CID 68841641
1-[5-(8-hexan-3-yl-2,6-dimethylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-1,3-thiazol-2-yl]piperidin-4-one
CID 143298301
2,6-dimethyl-3-[3-methyl-5-(1H-pyrrol-2-yl)thiophen-2-yl]-8-pentan-3-ylimidazo[1,2-b]pyridazine
CID 141238444
3-(2,5-dibromo-1H-pyrrol-3-yl)-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine
CID 141238447
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
5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N,N,4-trimethyl-1H-pyrrol-2-amine
CID 141238449
2-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-5-(2-methyl-1,5-dihydro-1,2,4-triazol-3-yl)thiophene-3-carbonitrile
CID 68841697

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(CC)Nc1nc(C)c(-c2c(C)nc3c(C(CC)CC)cc(C)nn23)s1.
What is the InChIKey of 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?
The InChIKey is IRPYFGTZSODKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5S/c1-8-16(9-2)18-12-13(5)26-27-19(14(6)23-21(18)27)20-15(7)24-22(28-20)25-17(10-3)11-4/h12,16-17H,8-11H2,1-7H3,(H,24,25).
What are the key properties of 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?
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 has a molecular weight of 399.61 g/mol, XLogP of 6.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 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)-4-methyl-N-pentan-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 87595703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).