[3-[4-(ethylamino)pyrimidin-2-yl]phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C21H23N5OS — CID 169411424

About [3-[4-(ethylamino)pyrimidin-2-yl]phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

[3-[4-(ethylamino)pyrimidin-2-yl]phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 169411424) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is [3-[4-(ethylamino)pyrimidin-2-yl]phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-[4-(ethylamino)pyrimidin-2-yl]phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
• PubChem CID: 169411424
• Molecular Formula: C21H23N5OS
• Molecular Weight: 393.52 g/mol
• Exact Mass: 393.16
• IUPAC Name: [3-[4-(ethylamino)pyrimidin-2-yl]phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
• SMILES: CCNc1ccnc(-c2cccc(C(=O)N3CCCCC3c3nccs3)c2)n1
• InChI: InChI=1S/C21H23N5OS/c1-2-22-18-9-10-23-19(25-18)15-6-5-7-16(14-15)21(27)26-12-4-3-8-17(26)20-24-11-13-28-20/h5-7,9-11,13-14,17H,2-4,8,12H2,1H3,(H,22,23,25)
• InChIKey: UDQCCFQJAQOSCG-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.52
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-[4-(ethylamino)pyrimidin-2-yl]phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?

The IUPAC name of [3-[4-(ethylamino)pyrimidin-2-yl]phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 169411424) is [3-[4-(ethylamino)pyrimidin-2-yl]phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

What is the SMILES notation for [3-[4-(ethylamino)pyrimidin-2-yl]phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?

The canonical SMILES for [3-[4-(ethylamino)pyrimidin-2-yl]phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is CCNc1ccnc(-c2cccc(C(=O)N3CCCCC3c3nccs3)c2)n1.

What is the InChIKey of [3-[4-(ethylamino)pyrimidin-2-yl]phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?

The InChIKey is UDQCCFQJAQOSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5OS/c1-2-22-18-9-10-23-19(25-18)15-6-5-7-16(14-15)21(27)26-12-4-3-8-17(26)20-24-11-13-28-20/h5-7,9-11,13-14,17H,2-4,8,12H2,1H3,(H,22,23,25).

What are the key properties of [3-[4-(ethylamino)pyrimidin-2-yl]phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?

[3-[4-(ethylamino)pyrimidin-2-yl]phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 393.52 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-(ethylamino)pyrimidin-2-yl]phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 169411424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).