1-[4-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone

C19H24N4O2S2 — CID 90601680

About 1-[4-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone

1-[4-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 90601680) has the molecular formula C19H24N4O2S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is 1-[4-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
• PubChem CID: 90601680
• Molecular Formula: C19H24N4O2S2
• Molecular Weight: 404.56 g/mol
• Exact Mass: 404.13
• IUPAC Name: 1-[4-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CCC(C(=O)N2CCN(c3nc(-c4ccsc4)cs3)CC2)CC1
• InChI: InChI=1S/C19H24N4O2S2/c1-14(24)21-5-2-15(3-6-21)18(25)22-7-9-23(10-8-22)19-20-17(13-27-19)16-4-11-26-12-16/h4,11-13,15H,2-3,5-10H2,1H3
• InChIKey: HMIUWARKVQVPGY-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 56.75 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.56
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?

The IUPAC name of 1-[4-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone (CID 90601680) is 1-[4-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone.

What is the SMILES notation for 1-[4-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?

The canonical SMILES for 1-[4-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCN(c3nc(-c4ccsc4)cs3)CC2)CC1.

What is the InChIKey of 1-[4-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?

The InChIKey is HMIUWARKVQVPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S2/c1-14(24)21-5-2-15(3-6-21)18(25)22-7-9-23(10-8-22)19-20-17(13-27-19)16-4-11-26-12-16/h4,11-13,15H,2-3,5-10H2,1H3.

What are the key properties of 1-[4-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?

1-[4-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 404.56 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 90601680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).