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

C30H35N5OS — CID 71451351

IUPAC3-[ethyl-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCCN(CCCNc1c2c(nc3ccccc13)CCCC2)CCC(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C30H35N5OS/c1-2-35(20-17-28(36)34-30-33-27(21-37-30)22-11-4-3-5-12-22)19-10-18-31-29-23-13-6-8-15-25(23)32-26-16-9-7-14-24(26)29/h3-6,8,11-13,15,21H,2,7,9-10,14,16-20H2,1H3,(H,31,32)(H,33,34,36)
InChIKeyGEDCFQCGOZAXCA-UHFFFAOYSA-N
MW513.71 g/mol
LogP6.39
Rot. Bonds11

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

3-[ethyl-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 71451351) has the molecular formula C30H35N5OS and a molecular weight of 513.71 g/mol. Its IUPAC name is 3-[ethyl-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[ethyl-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
PubChem CID71451351
Molecular FormulaC30H35N5OS
Molecular Weight513.71 g/mol
Exact Mass513.26
IUPAC Name3-[ethyl-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCCN(CCCNc1c2c(nc3ccccc13)CCCC2)CCC(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C30H35N5OS/c1-2-35(20-17-28(36)34-30-33-27(21-37-30)22-11-4-3-5-12-22)19-10-18-31-29-23-13-6-8-15-25(23)32-26-16-9-7-14-24(26)29/h3-6,8,11-13,15,21H,2,7,9-10,14,16-20H2,1H3,(H,31,32)(H,33,34,36)
InChIKeyGEDCFQCGOZAXCA-UHFFFAOYSA-N
XLogP6.39
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.71
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[ethyl-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (CID 71451351) is 3-[ethyl-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[ethyl-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[ethyl-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is CCN(CCCNc1c2c(nc3ccccc13)CCCC2)CCC(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-[ethyl-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is GEDCFQCGOZAXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5OS/c1-2-35(20-17-28(36)34-30-33-27(21-37-30)22-11-4-3-5-12-22)19-10-18-31-29-23-13-6-8-15-25(23)32-26-16-9-7-14-24(26)29/h3-6,8,11-13,15,21H,2,7,9-10,14,16-20H2,1H3,(H,31,32)(H,33,34,36).
What are the key properties of 3-[ethyl-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
3-[ethyl-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide 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 3-[ethyl-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 71451351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).