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

C22H23N5S2 — CID 11633172

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

4-methyl-5-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]thiadiazole (PubChem CID 11633172) has the molecular formula C22H23N5S2 and a molecular weight of 421.60 g/mol. Its IUPAC name is 4-methyl-5-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]thiadiazole.

Molecular Properties

• Compound Name: 4-methyl-5-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]thiadiazole
• PubChem CID: 11633172
• Molecular Formula: C22H23N5S2
• Molecular Weight: 421.60 g/mol
• Exact Mass: 421.14
• IUPAC Name: 4-methyl-5-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]thiadiazole
• SMILES: Cc1nnsc1-c1nc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cs1
• InChI: InChI=1S/C22H23N5S2/c1-14-4-3-10-27(14)11-9-16-5-7-18-17(12-16)6-8-19(23-18)20-13-28-22(24-20)21-15(2)25-26-29-21/h5-8,12-14H,3-4,9-11H2,1-2H3/t14-/m1/s1
• InChIKey: HYQOBATYZRJIMX-CQSZACIVSA-N
• XLogP: 5.21
• TPSA: 54.80 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.60
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-methyl-5-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]thiadiazole (CID 11633172) is 4-methyl-5-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]thiadiazole.

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

The canonical SMILES for 4-methyl-5-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]thiadiazole is Cc1nnsc1-c1nc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cs1.

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

The InChIKey is HYQOBATYZRJIMX-CQSZACIVSA-N. The full InChI is InChI=1S/C22H23N5S2/c1-14-4-3-10-27(14)11-9-16-5-7-18-17(12-16)6-8-19(23-18)20-13-28-22(24-20)21-15(2)25-26-29-21/h5-8,12-14H,3-4,9-11H2,1-2H3/t14-/m1/s1.

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

4-methyl-5-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]thiadiazole has a molecular weight of 421.60 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-5-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]thiadiazole is sourced from PubChem (CID 11633172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).