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

C21H28N4S2 — CID 143298235

IUPAC5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-2-[[(Z)-prop-1-enyl]sulfanylmethyl]-1,3-thiazole
SMILESC/C=C\SCc1nc(C)c(-c2c(C)nc3c(C(CC)CC)cc(C)nn23)s1
InChIInChI=1S/C21H28N4S2/c1-7-10-26-12-18-22-15(6)20(27-18)19-14(5)23-21-17(16(8-2)9-3)11-13(4)24-25(19)21/h7,10-11,16H,8-9,12H2,1-6H3/b10-7-
InChIKeyPRVULKSFJIJPRH-YFHOEESVSA-N
MW400.62 g/mol
LogP6.45
Rot. Bonds7

About 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

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 (PubChem CID 143298235) has the molecular formula C21H28N4S2 and a molecular weight of 400.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-2-[[(Z)-prop-1-enyl]sulfanylmethyl]-1,3-thiazole
PubChem CID143298235
Molecular FormulaC21H28N4S2
Molecular Weight400.62 g/mol
Exact Mass400.18
IUPAC Name5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methyl-2-[[(Z)-prop-1-enyl]sulfanylmethyl]-1,3-thiazole
SMILESC/C=C\SCc1nc(C)c(-c2c(C)nc3c(C(CC)CC)cc(C)nn23)s1
InChIInChI=1S/C21H28N4S2/c1-7-10-26-12-18-22-15(6)20(27-18)19-14(5)23-21-17(16(8-2)9-3)11-13(4)24-25(19)21/h7,10-11,16H,8-9,12H2,1-6H3/b10-7-
InChIKeyPRVULKSFJIJPRH-YFHOEESVSA-N
XLogP6.45
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.62
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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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
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
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-(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
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-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-(2,5-dibromo-1H-pyrrol-3-yl)-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine
CID 141238447
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-2-[[(Z)-prop-1-enyl]sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C=C\SCc1nc(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-2-[[(Z)-prop-1-enyl]sulfanylmethyl]-1,3-thiazole?
The InChIKey is PRVULKSFJIJPRH-YFHOEESVSA-N. The full InChI is InChI=1S/C21H28N4S2/c1-7-10-26-12-18-22-15(6)20(27-18)19-14(5)23-21-17(16(8-2)9-3)11-13(4)24-25(19)21/h7,10-11,16H,8-9,12H2,1-6H3/b10-7-.
What are the key properties of 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?
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 has a molecular weight of 400.62 g/mol, XLogP of 6.45, 7 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-[[(Z)-prop-1-enyl]sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 143298235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).