2-hydroxy-2,7-dimethyl-6-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]octan-4-one

C24H30N4O2S — CID 143286731

About 2-hydroxy-2,7-dimethyl-6-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]octan-4-one

2-hydroxy-2,7-dimethyl-6-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]octan-4-one (PubChem CID 143286731) has the molecular formula C24H30N4O2S and a molecular weight of 438.60 g/mol. Its IUPAC name is 2-hydroxy-2,7-dimethyl-6-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]octan-4-one.

Molecular Properties

• Compound Name: 2-hydroxy-2,7-dimethyl-6-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]octan-4-one
• PubChem CID: 143286731
• Molecular Formula: C24H30N4O2S
• Molecular Weight: 438.60 g/mol
• Exact Mass: 438.21
• IUPAC Name: 2-hydroxy-2,7-dimethyl-6-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]octan-4-one
• SMILES: Cc1ccnc(Nc2cccc(-c3cnc(C(CC(=O)CC(C)(C)O)C(C)C)s3)n2)c1
• InChI: InChI=1S/C24H30N4O2S/c1-15(2)18(12-17(29)13-24(4,5)30)23-26-14-20(31-23)19-7-6-8-21(27-19)28-22-11-16(3)9-10-25-22/h6-11,14-15,18,30H,12-13H2,1-5H3,(H,25,27,28)
• InChIKey: YMZPEAJWICBMDW-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 88.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.60
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,7-dimethyl-6-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]octan-4-one?

The IUPAC name of 2-hydroxy-2,7-dimethyl-6-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]octan-4-one (CID 143286731) is 2-hydroxy-2,7-dimethyl-6-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]octan-4-one.

What is the SMILES notation for 2-hydroxy-2,7-dimethyl-6-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]octan-4-one?

The canonical SMILES for 2-hydroxy-2,7-dimethyl-6-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]octan-4-one is Cc1ccnc(Nc2cccc(-c3cnc(C(CC(=O)CC(C)(C)O)C(C)C)s3)n2)c1.

What is the InChIKey of 2-hydroxy-2,7-dimethyl-6-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]octan-4-one?

The InChIKey is YMZPEAJWICBMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2S/c1-15(2)18(12-17(29)13-24(4,5)30)23-26-14-20(31-23)19-7-6-8-21(27-19)28-22-11-16(3)9-10-25-22/h6-11,14-15,18,30H,12-13H2,1-5H3,(H,25,27,28).

What are the key properties of 2-hydroxy-2,7-dimethyl-6-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]octan-4-one?

2-hydroxy-2,7-dimethyl-6-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]octan-4-one has a molecular weight of 438.60 g/mol, XLogP of 5.51, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-2,7-dimethyl-6-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]octan-4-one is sourced from PubChem (CID 143286731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).