1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone

C19H18N4O3S — CID 134021958

About 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone

1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 134021958) has the molecular formula C19H18N4O3S and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

• Compound Name: 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
• PubChem CID: 134021958
• Molecular Formula: C19H18N4O3S
• Molecular Weight: 382.44 g/mol
• Exact Mass: 382.11
• IUPAC Name: 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
• SMILES: O=C(Cc1csc(-c2cccnc2)n1)N1CCN(C(=O)c2ccoc2)CC1
• InChI: InChI=1S/C19H18N4O3S/c24-17(10-16-13-27-18(21-16)14-2-1-4-20-11-14)22-5-7-23(8-6-22)19(25)15-3-9-26-12-15/h1-4,9,11-13H,5-8,10H2
• InChIKey: XBPIKQZEQLRBJA-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 79.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.44
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone?

The IUPAC name of 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone (CID 134021958) is 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone.

What is the SMILES notation for 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone?

The canonical SMILES for 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone is O=C(Cc1csc(-c2cccnc2)n1)N1CCN(C(=O)c2ccoc2)CC1.

What is the InChIKey of 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone?

The InChIKey is XBPIKQZEQLRBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c24-17(10-16-13-27-18(21-16)14-2-1-4-20-11-14)22-5-7-23(8-6-22)19(25)15-3-9-26-12-15/h1-4,9,11-13H,5-8,10H2.

What are the key properties of 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone?

1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 382.44 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 134021958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).