N-[2-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide

C48H58N6O7S — CID 122525143

About N-[2-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide

N-[2-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 122525143) has the molecular formula C48H58N6O7S and a molecular weight of 863.09 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 122525143
• Molecular Formula: C48H58N6O7S
• Molecular Weight: 863.09 g/mol
• Exact Mass: 862.41
• IUPAC Name: N-[2-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide
• SMILES: CCN(CC)c1ccc(NC(=O)c2cccc(CCCOCCOCCOCCOCCNC(=O)c3cscn3)c2)c(-c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccn2)c1
• InChI: InChI=1S/C48H58N6O7S/c1-3-54(4-2)39-17-18-43(41(32-39)44-31-38(19-20-49-44)47(56)52-42-16-8-13-36-12-5-6-15-40(36)42)53-46(55)37-14-7-10-35(30-37)11-9-22-58-24-26-60-28-29-61-27-25-59-23-21-50-48(57)45-33-62-34-51-45/h5-7,10,12,14-15,17-20,30-34,42H,3-4,8-9,11,13,16,21-29H2,1-2H3,(H,50,57)(H,52,56)(H,53,55)/t42-/m0/s1
• InChIKey: GPBNXDRHIMHLQD-WBCKFURZSA-N
• XLogP: 7.54
• TPSA: 153.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 25
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	863.09
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[2-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide (CID 122525143) is N-[2-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[2-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[2-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2cccc(CCCOCCOCCOCCOCCNC(=O)c3cscn3)c2)c(-c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccn2)c1.

What is the InChIKey of N-[2-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide?

The InChIKey is GPBNXDRHIMHLQD-WBCKFURZSA-N. The full InChI is InChI=1S/C48H58N6O7S/c1-3-54(4-2)39-17-18-43(41(32-39)44-31-38(19-20-49-44)47(56)52-42-16-8-13-36-12-5-6-15-40(36)42)53-46(55)37-14-7-10-35(30-37)11-9-22-58-24-26-60-28-29-61-27-25-59-23-21-50-48(57)45-33-62-34-51-45/h5-7,10,12,14-15,17-20,30-34,42H,3-4,8-9,11,13,16,21-29H2,1-2H3,(H,50,57)(H,52,56)(H,53,55)/t42-/m0/s1.

What are the key properties of N-[2-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide?

N-[2-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 863.09 g/mol, XLogP of 7.54, 25 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[2-[3-[3-[[4-(diethylamino)-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122525143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).