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

C23H30N8O2S2 — CID 135296342

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

N-cyclopentyl-4-methyl-5-[2-[[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 135296342) has the molecular formula C23H30N8O2S2 and a molecular weight of 514.68 g/mol. Its IUPAC name is N-cyclopentyl-4-methyl-5-[2-[[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-cyclopentyl-4-methyl-5-[2-[[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
• PubChem CID: 135296342
• Molecular Formula: C23H30N8O2S2
• Molecular Weight: 514.68 g/mol
• Exact Mass: 514.19
• IUPAC Name: N-cyclopentyl-4-methyl-5-[2-[[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
• SMILES: Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cn2)n1
• InChI: InChI=1S/C23H30N8O2S2/c1-16-21(34-23(26-16)27-17-5-3-4-6-17)19-9-10-24-22(28-19)29-20-8-7-18(15-25-20)30-11-13-31(14-12-30)35(2,32)33/h7-10,15,17H,3-6,11-14H2,1-2H3,(H,26,27)(H,24,25,28,29)
• InChIKey: ZIWFXQFVSGOWAZ-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 116.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.68
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-cyclopentyl-4-methyl-5-[2-[[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 135296342) is N-cyclopentyl-4-methyl-5-[2-[[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine.

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

The canonical SMILES for N-cyclopentyl-4-methyl-5-[2-[[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cn2)n1.

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

The InChIKey is ZIWFXQFVSGOWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8O2S2/c1-16-21(34-23(26-16)27-17-5-3-4-6-17)19-9-10-24-22(28-19)29-20-8-7-18(15-25-20)30-11-13-31(14-12-30)35(2,32)33/h7-10,15,17H,3-6,11-14H2,1-2H3,(H,26,27)(H,24,25,28,29).

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

N-cyclopentyl-4-methyl-5-[2-[[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 514.68 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-4-methyl-5-[2-[[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 135296342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).