2-(4-methoxyphenyl)-2-methyl-1-[2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one

C24H28N4O2S — CID 110265442

About 2-(4-methoxyphenyl)-2-methyl-1-[2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one

2-(4-methoxyphenyl)-2-methyl-1-[2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 110265442) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-methyl-1-[2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 2-(4-methoxyphenyl)-2-methyl-1-[2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
• PubChem CID: 110265442
• Molecular Formula: C24H28N4O2S
• Molecular Weight: 436.58 g/mol
• Exact Mass: 436.19
• IUPAC Name: 2-(4-methoxyphenyl)-2-methyl-1-[2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
• SMILES: COc1ccc(C(C)(C)C(=O)N2CCCC2c2cccc(Nc3nc(C)cs3)n2)cc1
• InChI: InChI=1S/C24H28N4O2S/c1-16-15-31-23(25-16)27-21-9-5-7-19(26-21)20-8-6-14-28(20)22(29)24(2,3)17-10-12-18(30-4)13-11-17/h5,7,9-13,15,20H,6,8,14H2,1-4H3,(H,25,26,27)
• InChIKey: CJTZJRHJEXOBEE-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.58
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-methyl-1-[2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one?

The IUPAC name of 2-(4-methoxyphenyl)-2-methyl-1-[2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one (CID 110265442) is 2-(4-methoxyphenyl)-2-methyl-1-[2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one.

What is the SMILES notation for 2-(4-methoxyphenyl)-2-methyl-1-[2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one?

The canonical SMILES for 2-(4-methoxyphenyl)-2-methyl-1-[2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one is COc1ccc(C(C)(C)C(=O)N2CCCC2c2cccc(Nc3nc(C)cs3)n2)cc1.

What is the InChIKey of 2-(4-methoxyphenyl)-2-methyl-1-[2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one?

The InChIKey is CJTZJRHJEXOBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-16-15-31-23(25-16)27-21-9-5-7-19(26-21)20-8-6-14-28(20)22(29)24(2,3)17-10-12-18(30-4)13-11-17/h5,7,9-13,15,20H,6,8,14H2,1-4H3,(H,25,26,27).

What are the key properties of 2-(4-methoxyphenyl)-2-methyl-1-[2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one?

2-(4-methoxyphenyl)-2-methyl-1-[2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 436.58 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxyphenyl)-2-methyl-1-[2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110265442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).