N-cyclopentyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

C23H27F3N8S — CID 126535157

About N-cyclopentyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-cyclopentyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 126535157) has the molecular formula C23H27F3N8S and a molecular weight of 504.59 g/mol. Its IUPAC name is N-cyclopentyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-cyclopentyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
• PubChem CID: 126535157
• Molecular Formula: C23H27F3N8S
• Molecular Weight: 504.59 g/mol
• Exact Mass: 504.20
• IUPAC Name: N-cyclopentyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
• SMILES: CN1CCN(c2ccc(Nc3nccc(-c4sc(NC5CCCC5)nc4C(F)(F)F)n3)nc2)CC1
• InChI: InChI=1S/C23H27F3N8S/c1-33-10-12-34(13-11-33)16-6-7-18(28-14-16)31-21-27-9-8-17(30-21)19-20(23(24,25)26)32-22(35-19)29-15-4-2-3-5-15/h6-9,14-15H,2-5,10-13H2,1H3,(H,29,32)(H,27,28,30,31)
• InChIKey: LUHGNQLUGTWNCL-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 82.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.59
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?

The IUPAC name of N-cyclopentyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 126535157) is N-cyclopentyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.

What is the SMILES notation for N-cyclopentyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?

The canonical SMILES for N-cyclopentyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is CN1CCN(c2ccc(Nc3nccc(-c4sc(NC5CCCC5)nc4C(F)(F)F)n3)nc2)CC1.

What is the InChIKey of N-cyclopentyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?

The InChIKey is LUHGNQLUGTWNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N8S/c1-33-10-12-34(13-11-33)16-6-7-18(28-14-16)31-21-27-9-8-17(30-21)19-20(23(24,25)26)32-22(35-19)29-15-4-2-3-5-15/h6-9,14-15H,2-5,10-13H2,1H3,(H,29,32)(H,27,28,30,31).

What are the key properties of N-cyclopentyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?

N-cyclopentyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 504.59 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 126535157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).