4-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide

C24H25N7OS — CID 122315391

About 4-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide

4-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 122315391) has the molecular formula C24H25N7OS and a molecular weight of 459.58 g/mol. Its IUPAC name is 4-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
• PubChem CID: 122315391
• Molecular Formula: C24H25N7OS
• Molecular Weight: 459.58 g/mol
• Exact Mass: 459.18
• IUPAC Name: 4-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
• SMILES: Cc1ccnc(Nc2cc(NCCNC(=O)c3sc(-c4ccccc4)nc3C)nc(C)n2)c1
• InChI: InChI=1S/C24H25N7OS/c1-15-9-10-25-19(13-15)31-21-14-20(29-17(3)30-21)26-11-12-27-23(32)22-16(2)28-24(33-22)18-7-5-4-6-8-18/h4-10,13-14H,11-12H2,1-3H3,(H,27,32)(H2,25,26,29,30,31)
• InChIKey: SBCQDCHZXVWVDX-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 104.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.58
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 122315391) is 4-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide is Cc1ccnc(Nc2cc(NCCNC(=O)c3sc(-c4ccccc4)nc3C)nc(C)n2)c1.

What is the InChIKey of 4-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide?

The InChIKey is SBCQDCHZXVWVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7OS/c1-15-9-10-25-19(13-15)31-21-14-20(29-17(3)30-21)26-11-12-27-23(32)22-16(2)28-24(33-22)18-7-5-4-6-8-18/h4-10,13-14H,11-12H2,1-3H3,(H,27,32)(H2,25,26,29,30,31).

What are the key properties of 4-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide?

4-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 459.58 g/mol, XLogP of 4.51, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122315391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).