2-methyl-4-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,3-thiazole

C23H24N4S2 — CID 11553554

About 2-methyl-4-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,3-thiazole

2-methyl-4-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,3-thiazole (PubChem CID 11553554) has the molecular formula C23H24N4S2 and a molecular weight of 420.61 g/mol. Its IUPAC name is 2-methyl-4-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-methyl-4-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,3-thiazole
• PubChem CID: 11553554
• Molecular Formula: C23H24N4S2
• Molecular Weight: 420.61 g/mol
• Exact Mass: 420.14
• IUPAC Name: 2-methyl-4-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,3-thiazole
• SMILES: Cc1nc(-c2nc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)cs2)cs1
• InChI: InChI=1S/C23H24N4S2/c1-15-4-3-10-27(15)11-9-17-5-7-19-18(12-17)6-8-20(25-19)21-13-29-23(26-21)22-14-28-16(2)24-22/h5-8,12-15H,3-4,9-11H2,1-2H3/t15-/m1/s1
• InChIKey: IGONDOBLYLNKTI-OAHLLOKOSA-N
• XLogP: 5.82
• TPSA: 41.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.61
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,3-thiazole?

The IUPAC name of 2-methyl-4-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,3-thiazole (CID 11553554) is 2-methyl-4-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,3-thiazole.

What is the SMILES notation for 2-methyl-4-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,3-thiazole?

The canonical SMILES for 2-methyl-4-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,3-thiazole is Cc1nc(-c2nc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)cs2)cs1.

What is the InChIKey of 2-methyl-4-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,3-thiazole?

The InChIKey is IGONDOBLYLNKTI-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H24N4S2/c1-15-4-3-10-27(15)11-9-17-5-7-19-18(12-17)6-8-20(25-19)21-13-29-23(26-21)22-14-28-16(2)24-22/h5-8,12-15H,3-4,9-11H2,1-2H3/t15-/m1/s1.

What are the key properties of 2-methyl-4-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,3-thiazole?

2-methyl-4-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,3-thiazole has a molecular weight of 420.61 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-4-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 11553554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).