5-(3,6-dihydro-2H-pyran-4-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazole

C18H16N4OS2 — CID 162432910

IUPAC5-(3,6-dihydro-2H-pyran-4-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazole
SMILESCc1cn2nc(-c3nc4sc(C5=CCOCC5)cc4s3)cc(C)c2n1
InChIInChI=1S/C18H16N4OS2/c1-10-7-13(21-22-9-11(2)19-16(10)22)17-20-18-15(25-17)8-14(24-18)12-3-5-23-6-4-12/h3,7-9H,4-6H2,1-2H3
InChIKeyYZIRGAHMLIPAIV-UHFFFAOYSA-N
MW368.49 g/mol
LogP4.49
Rot. Bonds2

About 5-(3,6-dihydro-2H-pyran-4-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazole

5-(3,6-dihydro-2H-pyran-4-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazole (PubChem CID 162432910) has the molecular formula C18H16N4OS2 and a molecular weight of 368.49 g/mol. Its IUPAC name is 5-(3,6-dihydro-2H-pyran-4-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazole.

Molecular Properties

Compound Name5-(3,6-dihydro-2H-pyran-4-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazole
PubChem CID162432910
Molecular FormulaC18H16N4OS2
Molecular Weight368.49 g/mol
Exact Mass368.08
IUPAC Name5-(3,6-dihydro-2H-pyran-4-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazole
SMILESCc1cn2nc(-c3nc4sc(C5=CCOCC5)cc4s3)cc(C)c2n1
InChIInChI=1S/C18H16N4OS2/c1-10-7-13(21-22-9-11(2)19-16(10)22)17-20-18-15(25-17)8-14(24-18)12-3-5-23-6-4-12/h3,7-9H,4-6H2,1-2H3
InChIKeyYZIRGAHMLIPAIV-UHFFFAOYSA-N
XLogP4.49
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3,6-dihydro-2H-pyran-4-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile
CID 121426233
tert-butyl 4-[2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate
CID 162432935
tert-butyl 4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazol-2-yl]piperidine-1-carboxylate
CID 169082139
4-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)morpholine
CID 138739515
ethane;4-(5-methylthiophen-2-yl)-3,6-dihydro-2H-pyran
CID 168899149
2,8-dimethylimidazo[1,2-b]pyridazin-6-amine;hydrochloride
CID 155820810
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-(3,5-dimethylpiperazin-1-yl)-4-fluoro-1,3-benzothiazole;hydrochloride
CID 153383443
6-(2-cyclopent-3-en-1-yl-8-fluoroimidazo[1,2-a]pyridin-6-yl)-2,8-dimethylimidazo[1,2-b]pyridazine
CID 170340773
6-[8-fluoro-2-[1-(oxolan-3-yl)piperidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-2,8-dimethylimidazo[1,2-b]pyridazine
CID 170593502
3-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazol-2-yl]-5-[4-[2-(4-fluoro-2-methyl-2,3-dihydro-1,3-benzothiazol-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]-1-methylcyclohexyl]pentan-1-amine
CID 168979158
6-[8-fluoro-2-[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazo[1,2-a]pyridin-6-yl]-2,8-dimethylimidazo[1,2-b]pyridazine
CID 170593790
N-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]formamide
CID 170593703

Frequently Asked Questions

What is the IUPAC name of 5-(3,6-dihydro-2H-pyran-4-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazole?
The IUPAC name of 5-(3,6-dihydro-2H-pyran-4-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazole (CID 162432910) is 5-(3,6-dihydro-2H-pyran-4-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazole.
What is the SMILES notation for 5-(3,6-dihydro-2H-pyran-4-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazole?
The canonical SMILES for 5-(3,6-dihydro-2H-pyran-4-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazole is Cc1cn2nc(-c3nc4sc(C5=CCOCC5)cc4s3)cc(C)c2n1.
What is the InChIKey of 5-(3,6-dihydro-2H-pyran-4-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazole?
The InChIKey is YZIRGAHMLIPAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS2/c1-10-7-13(21-22-9-11(2)19-16(10)22)17-20-18-15(25-17)8-14(24-18)12-3-5-23-6-4-12/h3,7-9H,4-6H2,1-2H3.
What are the key properties of 5-(3,6-dihydro-2H-pyran-4-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazole?
5-(3,6-dihydro-2H-pyran-4-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazole has a molecular weight of 368.49 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-dihydro-2H-pyran-4-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazole is sourced from PubChem (CID 162432910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).