[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone

C17H18N4O2S — CID 56739466

IUPAC[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3cn4ccsc4n3)CC2)nc1
InChIInChI=1S/C17H18N4O2S/c1-12-2-3-14(18-10-12)17(23)4-6-20(7-5-17)15(22)13-11-21-8-9-24-16(21)19-13/h2-3,8-11,23H,4-7H2,1H3
InChIKeyKXBUQEOZWLPRBR-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.22
Rot. Bonds2

About [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone

[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone (PubChem CID 56739466) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone.

Molecular Properties

Compound Name[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone
PubChem CID56739466
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3cn4ccsc4n3)CC2)nc1
InChIInChI=1S/C17H18N4O2S/c1-12-2-3-14(18-10-12)17(23)4-6-20(7-5-17)15(22)13-11-21-8-9-24-16(21)19-13/h2-3,8-11,23H,4-7H2,1H3
InChIKeyKXBUQEOZWLPRBR-UHFFFAOYSA-N
XLogP2.22
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(4-Fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 44579405
[5-(Imidazo[2,1-b][1,3]thiazol-6-ylcarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl](phenyl)methanol
CID 90651743
(4-Ethylpiperazin-1-yl)-(2-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone
CID 134796752
(4-Methylpiperazin-1-yl)-(2-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone
CID 134797345
1-[4-(5-Phenylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone
CID 134797922
(4-Ethylpiperazin-1-yl)-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone
CID 134798660
Piperidin-1-yl-(2-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone
CID 134798849
1-[4-(5-Pyridin-3-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone
CID 134798945
(4-Methylpiperazin-1-yl)-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone
CID 134799089
Piperidin-1-yl-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone
CID 134799249
Piperidin-1-yl-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone
CID 134800025
1-[4-(5-Pyridin-4-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone
CID 134800203

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone?
The IUPAC name of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone (CID 56739466) is [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone.
What is the SMILES notation for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone?
The canonical SMILES for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone is Cc1ccc(C2(O)CCN(C(=O)c3cn4ccsc4n3)CC2)nc1.
What is the InChIKey of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone?
The InChIKey is KXBUQEOZWLPRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-12-2-3-14(18-10-12)17(23)4-6-20(7-5-17)15(22)13-11-21-8-9-24-16(21)19-13/h2-3,8-11,23H,4-7H2,1H3.
What are the key properties of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone?
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone has a molecular weight of 342.42 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone is sourced from PubChem (CID 56739466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).