piperidin-1-yl-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone

C16H16N4OS — CID 134800025

IUPACpiperidin-1-yl-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone
SMILESO=C(c1nc2sccn2c1-c1ccncc1)N1CCCCC1
InChIInChI=1S/C16H16N4OS/c21-15(19-8-2-1-3-9-19)13-14(12-4-6-17-7-5-12)20-10-11-22-16(20)18-13/h4-7,10-11H,1-3,8-9H2
InChIKeyVNUZMCJAYVJCQI-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.08
Rot. Bonds2

About piperidin-1-yl-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone

piperidin-1-yl-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone (PubChem CID 134800025) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is piperidin-1-yl-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone
PubChem CID134800025
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Namepiperidin-1-yl-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone
SMILESO=C(c1nc2sccn2c1-c1ccncc1)N1CCCCC1
InChIInChI=1S/C16H16N4OS/c21-15(19-8-2-1-3-9-19)13-14(12-4-6-17-7-5-12)20-10-11-22-16(20)18-13/h4-7,10-11H,1-3,8-9H2
InChIKeyVNUZMCJAYVJCQI-UHFFFAOYSA-N
XLogP3.08
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone?
The IUPAC name of piperidin-1-yl-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone (CID 134800025) is piperidin-1-yl-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone?
The canonical SMILES for piperidin-1-yl-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone is O=C(c1nc2sccn2c1-c1ccncc1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone?
The InChIKey is VNUZMCJAYVJCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c21-15(19-8-2-1-3-9-19)13-14(12-4-6-17-7-5-12)20-10-11-22-16(20)18-13/h4-7,10-11H,1-3,8-9H2.
What are the key properties of piperidin-1-yl-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone?
piperidin-1-yl-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone has a molecular weight of 312.40 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanone is sourced from PubChem (CID 134800025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).