1-[(3R)-3-(5-anilino-2,3-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-pyridin-2-ylethanone

C25H27N5OS — CID 92598243

About 1-[(3R)-3-(5-anilino-2,3-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-pyridin-2-ylethanone

1-[(3R)-3-(5-anilino-2,3-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-pyridin-2-ylethanone (PubChem CID 92598243) has the molecular formula C25H27N5OS and a molecular weight of 445.59 g/mol. Its IUPAC name is 1-[(3R)-3-(5-anilino-2,3-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

• Compound Name: 1-[(3R)-3-(5-anilino-2,3-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
• PubChem CID: 92598243
• Molecular Formula: C25H27N5OS
• Molecular Weight: 445.59 g/mol
• Exact Mass: 445.19
• IUPAC Name: 1-[(3R)-3-(5-anilino-2,3-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
• SMILES: Cc1sc2c([C@@H]3CCCN(C(=O)Cc4ccccn4)C3)nc(Nc3ccccc3)n2c1C
• InChI: InChI=1S/C25H27N5OS/c1-17-18(2)32-24-23(28-25(30(17)24)27-20-10-4-3-5-11-20)19-9-8-14-29(16-19)22(31)15-21-12-6-7-13-26-21/h3-7,10-13,19H,8-9,14-16H2,1-2H3,(H,27,28)/t19-/m1/s1
• InChIKey: WTGQOVUKHRTUMX-LJQANCHMSA-N
• XLogP: 5.10
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.59
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(5-anilino-2,3-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-pyridin-2-ylethanone?

The IUPAC name of 1-[(3R)-3-(5-anilino-2,3-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-pyridin-2-ylethanone (CID 92598243) is 1-[(3R)-3-(5-anilino-2,3-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-pyridin-2-ylethanone.

What is the SMILES notation for 1-[(3R)-3-(5-anilino-2,3-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-pyridin-2-ylethanone?

The canonical SMILES for 1-[(3R)-3-(5-anilino-2,3-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-pyridin-2-ylethanone is Cc1sc2c([C@@H]3CCCN(C(=O)Cc4ccccn4)C3)nc(Nc3ccccc3)n2c1C.

What is the InChIKey of 1-[(3R)-3-(5-anilino-2,3-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-pyridin-2-ylethanone?

The InChIKey is WTGQOVUKHRTUMX-LJQANCHMSA-N. The full InChI is InChI=1S/C25H27N5OS/c1-17-18(2)32-24-23(28-25(30(17)24)27-20-10-4-3-5-11-20)19-9-8-14-29(16-19)22(31)15-21-12-6-7-13-26-21/h3-7,10-13,19H,8-9,14-16H2,1-2H3,(H,27,28)/t19-/m1/s1.

What are the key properties of 1-[(3R)-3-(5-anilino-2,3-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-pyridin-2-ylethanone?

1-[(3R)-3-(5-anilino-2,3-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 445.59 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-(5-anilino-2,3-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 92598243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).