2-[3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-thiazole

C19H16N8S — CID 57456766

IUPAC2-[3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-thiazole
SMILESCCc1c(Cn2ccnc2-c2ncccn2)nc2ccc(-c3nccs3)nn12
InChIInChI=1S/C19H16N8S/c1-2-15-14(12-26-10-8-22-18(26)17-20-6-3-7-21-17)24-16-5-4-13(25-27(15)16)19-23-9-11-28-19/h3-11H,2,12H2,1H3
InChIKeyBQYXNFAZXPDJLR-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.12
Rot. Bonds5

About 2-[3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-thiazole

2-[3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-thiazole (PubChem CID 57456766) has the molecular formula C19H16N8S and a molecular weight of 388.46 g/mol. Its IUPAC name is 2-[3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-thiazole
PubChem CID57456766
Molecular FormulaC19H16N8S
Molecular Weight388.46 g/mol
Exact Mass388.12
IUPAC Name2-[3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-thiazole
SMILESCCc1c(Cn2ccnc2-c2ncccn2)nc2ccc(-c3nccs3)nn12
InChIInChI=1S/C19H16N8S/c1-2-15-14(12-26-10-8-22-18(26)17-20-6-3-7-21-17)24-16-5-4-13(25-27(15)16)19-23-9-11-28-19/h3-11H,2,12H2,1H3
InChIKeyBQYXNFAZXPDJLR-UHFFFAOYSA-N
XLogP3.12
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5,8-Dimethyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53236526
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine
CID 70982376
5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 71450204
2-{4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-1,3-thiazole
CID 91245989
US10399985, Example 23
CID 118278081
4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 628020
2-(4-{5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperazin-1-yl)-1,3-benzothiazole
CID 655948
2-[Phenyl-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]thiazole
CID 3011483
2-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[3,2-c]pyridine
CID 53262575
3-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
CID 53262678
6-((2-Methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylthio)methyl)imidazo[2,1-b]thiazole
CID 54582525
2-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
CID 54759346

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-thiazole?
The IUPAC name of 2-[3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-thiazole (CID 57456766) is 2-[3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-thiazole.
What is the SMILES notation for 2-[3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-thiazole?
The canonical SMILES for 2-[3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-thiazole is CCc1c(Cn2ccnc2-c2ncccn2)nc2ccc(-c3nccs3)nn12.
What is the InChIKey of 2-[3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-thiazole?
The InChIKey is BQYXNFAZXPDJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8S/c1-2-15-14(12-26-10-8-22-18(26)17-20-6-3-7-21-17)24-16-5-4-13(25-27(15)16)19-23-9-11-28-19/h3-11H,2,12H2,1H3.
What are the key properties of 2-[3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-thiazole?
2-[3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-thiazole has a molecular weight of 388.46 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-thiazole is sourced from PubChem (CID 57456766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).