4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-thiophen-2-yl-1,3-thiazole

C24H25N3S2 — CID 11640354

About 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-thiophen-2-yl-1,3-thiazole

4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-thiophen-2-yl-1,3-thiazole (PubChem CID 11640354) has the molecular formula C24H25N3S2 and a molecular weight of 419.62 g/mol. Its IUPAC name is 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-thiophen-2-yl-1,3-thiazole.

Molecular Properties

• Compound Name: 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-thiophen-2-yl-1,3-thiazole
• PubChem CID: 11640354
• Molecular Formula: C24H25N3S2
• Molecular Weight: 419.62 g/mol
• Exact Mass: 419.15
• IUPAC Name: 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-thiophen-2-yl-1,3-thiazole
• SMILES: Cc1nc(-c2cccs2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
• InChI: InChI=1S/C24H25N3S2/c1-16-5-3-12-27(16)13-11-18-7-9-20-19(15-18)8-10-21(26-20)23-17(2)25-24(29-23)22-6-4-14-28-22/h4,6-10,14-16H,3,5,11-13H2,1-2H3/t16-/m1/s1
• InChIKey: ASTAPGJBBBKTEX-MRXNPFEDSA-N
• XLogP: 6.42
• TPSA: 29.02 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.62
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-thiophen-2-yl-1,3-thiazole?

The IUPAC name of 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-thiophen-2-yl-1,3-thiazole (CID 11640354) is 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-thiophen-2-yl-1,3-thiazole.

What is the SMILES notation for 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-thiophen-2-yl-1,3-thiazole?

The canonical SMILES for 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-thiophen-2-yl-1,3-thiazole is Cc1nc(-c2cccs2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1.

What is the InChIKey of 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-thiophen-2-yl-1,3-thiazole?

The InChIKey is ASTAPGJBBBKTEX-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H25N3S2/c1-16-5-3-12-27(16)13-11-18-7-9-20-19(15-18)8-10-21(26-20)23-17(2)25-24(29-23)22-6-4-14-28-22/h4,6-10,14-16H,3,5,11-13H2,1-2H3/t16-/m1/s1.

What are the key properties of 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-thiophen-2-yl-1,3-thiazole?

4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-thiophen-2-yl-1,3-thiazole has a molecular weight of 419.62 g/mol, XLogP of 6.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 11640354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).