(5S)-5-[2-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

C22H28N4O2S — CID 165418289

About (5S)-5-[2-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

(5S)-5-[2-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 165418289) has the molecular formula C22H28N4O2S and a molecular weight of 412.56 g/mol. Its IUPAC name is (5S)-5-[2-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (5S)-5-[2-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
• PubChem CID: 165418289
• Molecular Formula: C22H28N4O2S
• Molecular Weight: 412.56 g/mol
• Exact Mass: 412.19
• IUPAC Name: (5S)-5-[2-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
• SMILES: CCNc1nc(C2(c3ccccc3)CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)cs1
• InChI: InChI=1S/C22H28N4O2S/c1-2-23-21-25-18(15-29-21)22(16-6-4-3-5-7-16)10-12-26(13-11-22)20(28)14-17-8-9-19(27)24-17/h3-7,15,17H,2,8-14H2,1H3,(H,23,25)(H,24,27)/t17-/m0/s1
• InChIKey: BVSKCUANKROZSW-KRWDZBQOSA-N
• XLogP: 3.15
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.56
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[2-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?

The IUPAC name of (5S)-5-[2-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (CID 165418289) is (5S)-5-[2-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.

What is the SMILES notation for (5S)-5-[2-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?

The canonical SMILES for (5S)-5-[2-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is CCNc1nc(C2(c3ccccc3)CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)cs1.

What is the InChIKey of (5S)-5-[2-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?

The InChIKey is BVSKCUANKROZSW-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H28N4O2S/c1-2-23-21-25-18(15-29-21)22(16-6-4-3-5-7-16)10-12-26(13-11-22)20(28)14-17-8-9-19(27)24-17/h3-7,15,17H,2,8-14H2,1H3,(H,23,25)(H,24,27)/t17-/m0/s1.

What are the key properties of (5S)-5-[2-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?

(5S)-5-[2-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 412.56 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[2-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 165418289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).