4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine

C₂₄H₂₉FN₆OS — CID 155563214

About 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine

4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine (PubChem CID 155563214) has the molecular formula C₂₄H₂₉FN₆OS and a molecular weight of 468.60 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
• PubChem CID: 155563214
• Molecular Formula: C₂₄H₂₉FN₆OS
• Molecular Weight: 468.60 g/mol
• Exact Mass: 468.21
• IUPAC Name: 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
• SMILES: Fc1ccc(-c2nc(C3CCNCC3)sc2-c2ccnc(NCCN3CCOCC3)n2)cc1
• InChI: InChI=1S/C24H29FN6OS/c25-19-3-1-17(2-4-19)21-22(33-23(30-21)18-5-8-26-9-6-18)20-7-10-27-24(29-20)28-11-12-31-13-15-32-16-14-31/h1-4,7,10,18,26H,5-6,8-9,11-16H2,(H,27,28,29)
• InChIKey: SSNJBXCIIZNPNS-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 75.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.60
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine?

The IUPAC name of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine (CID 155563214) is 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine.

What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine?

The canonical SMILES for 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine is Fc1ccc(-c2nc(C3CCNCC3)sc2-c2ccnc(NCCN3CCOCC3)n2)cc1.

What is the InChIKey of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine?

The InChIKey is SSNJBXCIIZNPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6OS/c25-19-3-1-17(2-4-19)21-22(33-23(30-21)18-5-8-26-9-6-18)20-7-10-27-24(29-20)28-11-12-31-13-15-32-16-14-31/h1-4,7,10,18,26H,5-6,8-9,11-16H2,(H,27,28,29).

What are the key properties of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine?

4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine has a molecular weight of 468.60 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 155563214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155563214 — identifiers, structure, computed properties (public domain)

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