N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxamide

C24H32ClN3O2S — CID 125430390

About N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxamide

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 125430390) has the molecular formula C24H32ClN3O2S and a molecular weight of 462.06 g/mol. Its IUPAC name is N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxamide
• PubChem CID: 125430390
• Molecular Formula: C24H32ClN3O2S
• Molecular Weight: 462.06 g/mol
• Exact Mass: 461.19
• IUPAC Name: N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxamide
• SMILES: COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)c1nc(C)sc1-c1ccccc1Cl
• InChI: InChI=1S/C24H32ClN3O2S/c1-17-26-22(23(31-17)19-9-3-4-10-20(19)25)24(29)28(14-15-30-2)16-18-8-7-13-27-12-6-5-11-21(18)27/h3-4,9-10,18,21H,5-8,11-16H2,1-2H3/t18-,21+/m0/s1
• InChIKey: KGFZXYXPAZQFLH-GHTZIAJQSA-N
• XLogP: 5.13
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.06
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxamide (CID 125430390) is N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxamide is COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)c1nc(C)sc1-c1ccccc1Cl.

What is the InChIKey of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxamide?

The InChIKey is KGFZXYXPAZQFLH-GHTZIAJQSA-N. The full InChI is InChI=1S/C24H32ClN3O2S/c1-17-26-22(23(31-17)19-9-3-4-10-20(19)25)24(29)28(14-15-30-2)16-18-8-7-13-27-12-6-5-11-21(18)27/h3-4,9-10,18,21H,5-8,11-16H2,1-2H3/t18-,21+/m0/s1.

What are the key properties of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxamide?

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 462.06 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 125430390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).