[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone

C25H24FN5OS — CID 10276421

About [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone

[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone (PubChem CID 10276421) has the molecular formula C25H24FN5OS and a molecular weight of 461.57 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone
• PubChem CID: 10276421
• Molecular Formula: C25H24FN5OS
• Molecular Weight: 461.57 g/mol
• Exact Mass: 461.17
• IUPAC Name: [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone
• SMILES: Cc1nc(C(=O)N2CCCCC2CNc2cnc3ccccc3n2)c(-c2ccc(F)cc2)s1
• InChI: InChI=1S/C25H24FN5OS/c1-16-29-23(24(33-16)17-9-11-18(26)12-10-17)25(32)31-13-5-4-6-19(31)14-28-22-15-27-20-7-2-3-8-21(20)30-22/h2-3,7-12,15,19H,4-6,13-14H2,1H3,(H,28,30)
• InChIKey: OPNKAJPFLYBLOT-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.57
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone?

The IUPAC name of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone (CID 10276421) is [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone.

What is the SMILES notation for [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone?

The canonical SMILES for [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone is Cc1nc(C(=O)N2CCCCC2CNc2cnc3ccccc3n2)c(-c2ccc(F)cc2)s1.

What is the InChIKey of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone?

The InChIKey is OPNKAJPFLYBLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5OS/c1-16-29-23(24(33-16)17-9-11-18(26)12-10-17)25(32)31-13-5-4-6-19(31)14-28-22-15-27-20-7-2-3-8-21(20)30-22/h2-3,7-12,15,19H,4-6,13-14H2,1H3,(H,28,30).

What are the key properties of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone?

[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone has a molecular weight of 461.57 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10276421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).