5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride

C22H26ClN5S — CID 141238451

IUPAC5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride
SMILESCCC(CC)c1cc(C)nn2c(-c3sc(-c4ccncc4)nc3C)c(C)nc12.Cl
InChIInChI=1S/C22H25N5S.ClH/c1-6-16(7-2)18-12-13(3)26-27-19(14(4)24-21(18)27)20-15(5)25-22(28-20)17-8-10-23-11-9-17;/h8-12,16H,6-7H2,1-5H3;1H
InChIKeyBYHYVYSUOVFVFR-UHFFFAOYSA-N
MW428.01 g/mol
LogP6.17
Rot. Bonds5

About 5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride

5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride (PubChem CID 141238451) has the molecular formula C22H26ClN5S and a molecular weight of 428.01 g/mol. Its IUPAC name is 5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride
PubChem CID141238451
Molecular FormulaC22H26ClN5S
Molecular Weight428.01 g/mol
Exact Mass427.16
IUPAC Name5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride
SMILESCCC(CC)c1cc(C)nn2c(-c3sc(-c4ccncc4)nc3C)c(C)nc12.Cl
InChIInChI=1S/C22H25N5S.ClH/c1-6-16(7-2)18-12-13(3)26-27-19(14(4)24-21(18)27)20-15(5)25-22(28-20)17-8-10-23-11-9-17;/h8-12,16H,6-7H2,1-5H3;1H
InChIKeyBYHYVYSUOVFVFR-UHFFFAOYSA-N
XLogP6.17
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.01
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-2-[[(Z)-prop-1-enyl]sulfanylmethyl]-1,3-thiazole
CID 143298235
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)-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
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
2-ethyl-3-[5-(6-ethyl-2-pyridinyl)-3-methylthiophen-2-yl]-6-methyl-8-pentan-3-ylimidazo[1,2-b]pyridazine
CID 143298204
4-methyl-5-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole
CID 70910859
4-[5-(2,6-dimethyl-8-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]morpholine
CID 67461598
4-ethyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 1478768
N,N-diethyl-2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)acetamide
CID 110329205

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-2-pyridin-4-yl-1,3-thiazole;hydrochloride?
The IUPAC name of 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) is 5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride?
The canonical SMILES for 5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride is CCC(CC)c1cc(C)nn2c(-c3sc(-c4ccncc4)nc3C)c(C)nc12.Cl.
What is the InChIKey of 5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride?
The InChIKey is BYHYVYSUOVFVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5S.ClH/c1-6-16(7-2)18-12-13(3)26-27-19(14(4)24-21(18)27)20-15(5)25-22(28-20)17-8-10-23-11-9-17;/h8-12,16H,6-7H2,1-5H3;1H.
What are the key properties of 5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride?
5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride has a molecular weight of 428.01 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 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-2-pyridin-4-yl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 141238451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).