[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-5-yl]-morpholin-4-ylmethanone

C25H33N3O3S — CID 59143744

About [2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-5-yl]-morpholin-4-ylmethanone

[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 59143744) has the molecular formula C25H33N3O3S and a molecular weight of 455.62 g/mol. Its IUPAC name is [2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: [2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-5-yl]-morpholin-4-ylmethanone
• PubChem CID: 59143744
• Molecular Formula: C25H33N3O3S
• Molecular Weight: 455.62 g/mol
• Exact Mass: 455.22
• IUPAC Name: [2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-5-yl]-morpholin-4-ylmethanone
• SMILES: CC1CCCN1CCCOc1ccc(-c2nc3c(s2)CC(C(=O)N2CCOCC2)C3)cc1
• InChI: InChI=1S/C25H33N3O3S/c1-18-4-2-9-27(18)10-3-13-31-21-7-5-19(6-8-21)24-26-22-16-20(17-23(22)32-24)25(29)28-11-14-30-15-12-28/h5-8,18,20H,2-4,9-17H2,1H3
• InChIKey: OBOJTXOQVDAGPL-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 54.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.62
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-5-yl]-morpholin-4-ylmethanone?

The IUPAC name of [2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-5-yl]-morpholin-4-ylmethanone (CID 59143744) is [2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-5-yl]-morpholin-4-ylmethanone.

What is the SMILES notation for [2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-5-yl]-morpholin-4-ylmethanone?

The canonical SMILES for [2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-5-yl]-morpholin-4-ylmethanone is CC1CCCN1CCCOc1ccc(-c2nc3c(s2)CC(C(=O)N2CCOCC2)C3)cc1.

What is the InChIKey of [2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-5-yl]-morpholin-4-ylmethanone?

The InChIKey is OBOJTXOQVDAGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3S/c1-18-4-2-9-27(18)10-3-13-31-21-7-5-19(6-8-21)24-26-22-16-20(17-23(22)32-24)25(29)28-11-14-30-15-12-28/h5-8,18,20H,2-4,9-17H2,1H3.

What are the key properties of [2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-5-yl]-morpholin-4-ylmethanone?

[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 455.62 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 59143744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).