2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone

C16H18N6OS — CID 56780016

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
SMILESO=C(Cc1cn2ccsc2n1)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C16H18N6OS/c23-15(10-13-11-22-8-9-24-16(22)19-13)21-6-3-12(4-7-21)18-14-2-1-5-17-20-14/h1-2,5,8-9,11-12H,3-4,6-7,10H2,(H,18,20)
InChIKeyNNVLVGNRLGYFBL-UHFFFAOYSA-N
MW342.43 g/mol
LogP1.83
Rot. Bonds4

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone (PubChem CID 56780016) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
PubChem CID56780016
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
SMILESO=C(Cc1cn2ccsc2n1)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C16H18N6OS/c23-15(10-13-11-22-8-9-24-16(22)19-13)21-6-3-12(4-7-21)18-14-2-1-5-17-20-14/h1-2,5,8-9,11-12H,3-4,6-7,10H2,(H,18,20)
InChIKeyNNVLVGNRLGYFBL-UHFFFAOYSA-N
XLogP1.83
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(4R)-4-methylazepan-1-yl]ethanone
CID 95591217
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
CID 127300785
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 74238119
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 95607609
1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38646156
1-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 56914148
4-(methylamino)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one
CID 119879728
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
CID 95313391
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 95289056
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]ethanone
CID 78905037
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
CID 70729152
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone
CID 94616471

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone (CID 56780016) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone is O=C(Cc1cn2ccsc2n1)N1CCC(Nc2cccnn2)CC1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone?
The InChIKey is NNVLVGNRLGYFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c23-15(10-13-11-22-8-9-24-16(22)19-13)21-6-3-12(4-7-21)18-14-2-1-5-17-20-14/h1-2,5,8-9,11-12H,3-4,6-7,10H2,(H,18,20).
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone?
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone has a molecular weight of 342.43 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 56780016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).