[9-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone

C24H33N3O3S — CID 45239795

About [9-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone

[9-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 45239795) has the molecular formula C24H33N3O3S and a molecular weight of 443.61 g/mol. Its IUPAC name is [9-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

• Compound Name: [9-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
• PubChem CID: 45239795
• Molecular Formula: C24H33N3O3S
• Molecular Weight: 443.61 g/mol
• Exact Mass: 443.22
• IUPAC Name: [9-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
• SMILES: COc1cccc(CN2CCCC3(CCN(C(=O)c4csc(C(C)C)n4)C3)C2)c1OC
• InChI: InChI=1S/C24H33N3O3S/c1-17(2)22-25-19(14-31-22)23(28)27-12-10-24(16-27)9-6-11-26(15-24)13-18-7-5-8-20(29-3)21(18)30-4/h5,7-8,14,17H,6,9-13,15-16H2,1-4H3
• InChIKey: NIBBKQKNCNGHQP-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 54.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.61
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [9-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?

The IUPAC name of [9-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone (CID 45239795) is [9-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone.

What is the SMILES notation for [9-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?

The canonical SMILES for [9-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone is COc1cccc(CN2CCCC3(CCN(C(=O)c4csc(C(C)C)n4)C3)C2)c1OC.

What is the InChIKey of [9-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?

The InChIKey is NIBBKQKNCNGHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3S/c1-17(2)22-25-19(14-31-22)23(28)27-12-10-24(16-27)9-6-11-26(15-24)13-18-7-5-8-20(29-3)21(18)30-4/h5,7-8,14,17H,6,9-13,15-16H2,1-4H3.

What are the key properties of [9-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?

[9-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 443.61 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [9-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 45239795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).