1-[4-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone

C17H17N5O2S — CID 134798945

IUPAC1-[4-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2nc3sccn3c2-c2cccnc2)CC1
InChIInChI=1S/C17H17N5O2S/c1-12(23)20-5-7-21(8-6-20)16(24)14-15(13-3-2-4-18-11-13)22-9-10-25-17(22)19-14/h2-4,9-11H,5-8H2,1H3
InChIKeyZFVKDQAWIKLRSE-UHFFFAOYSA-N
MW355.42 g/mol
LogP1.76
Rot. Bonds2

About 1-[4-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone

1-[4-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone (PubChem CID 134798945) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 1-[4-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone
PubChem CID134798945
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name1-[4-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2nc3sccn3c2-c2cccnc2)CC1
InChIInChI=1S/C17H17N5O2S/c1-12(23)20-5-7-21(8-6-20)16(24)14-15(13-3-2-4-18-11-13)22-9-10-25-17(22)19-14/h2-4,9-11H,5-8H2,1H3
InChIKeyZFVKDQAWIKLRSE-UHFFFAOYSA-N
XLogP1.76
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone (CID 134798945) is 1-[4-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2nc3sccn3c2-c2cccnc2)CC1.
What is the InChIKey of 1-[4-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is ZFVKDQAWIKLRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-12(23)20-5-7-21(8-6-20)16(24)14-15(13-3-2-4-18-11-13)22-9-10-25-17(22)19-14/h2-4,9-11H,5-8H2,1H3.
What are the key properties of 1-[4-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone?
1-[4-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 355.42 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-pyridin-3-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 134798945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).