2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C30H35N5OS — CID 71456682

About 2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 71456682) has the molecular formula C30H35N5OS and a molecular weight of 513.71 g/mol. Its IUPAC name is 2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
• PubChem CID: 71456682
• Molecular Formula: C30H35N5OS
• Molecular Weight: 513.71 g/mol
• Exact Mass: 513.26
• IUPAC Name: 2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
• SMILES: CCN(CCCCNc1c2c(nc3ccccc13)CCCC2)CC(=O)Nc1nc(-c2ccccc2)cs1
• InChI: InChI=1S/C30H35N5OS/c1-2-35(20-28(36)34-30-33-27(21-37-30)22-12-4-3-5-13-22)19-11-10-18-31-29-23-14-6-8-16-25(23)32-26-17-9-7-15-24(26)29/h3-6,8,12-14,16,21H,2,7,9-11,15,17-20H2,1H3,(H,31,32)(H,33,34,36)
• InChIKey: GULDRVQQCVWSCP-UHFFFAOYSA-N
• XLogP: 6.39
• TPSA: 70.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.71
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	2
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-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 71456682) is 2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is CCN(CCCCNc1c2c(nc3ccccc13)CCCC2)CC(=O)Nc1nc(-c2ccccc2)cs1.

What is the InChIKey of 2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?

The InChIKey is GULDRVQQCVWSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5OS/c1-2-35(20-28(36)34-30-33-27(21-37-30)22-12-4-3-5-13-22)19-11-10-18-31-29-23-14-6-8-16-25(23)32-26-17-9-7-15-24(26)29/h3-6,8,12-14,16,21H,2,7,9-11,15,17-20H2,1H3,(H,31,32)(H,33,34,36).

What are the key properties of 2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?

2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 513.71 g/mol, XLogP of 6.39, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[ethyl-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 71456682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).