4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;methane;4-piperazin-1-yl-5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;tetrakis(yttrium)

C61H72N18O5S4Y4-4 — CID 159017859

About 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;methane;4-piperazin-1-yl-5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;tetrakis(yttrium)

4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;methane;4-piperazin-1-yl-5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;tetrakis(yttrium) (PubChem CID 159017859) has the molecular formula C61H72N18O5S4Y4-4 and a molecular weight of 1621.26 g/mol. Its IUPAC name is 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;methane;4-piperazin-1-yl-5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;tetrakis(yttrium).

Molecular Properties

• Compound Name: 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;methane;4-piperazin-1-yl-5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;tetrakis(yttrium)
• PubChem CID: 159017859
• Molecular Formula: C61H72N18O5S4Y4-4
• Molecular Weight: 1621.26 g/mol
• Exact Mass: 1620.11
• IUPAC Name: 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;methane;4-piperazin-1-yl-5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;tetrakis(yttrium)
• SMILES: C.C.CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1.CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)N3CCN(c4ncnc5[nH]cc(-c6c(C)[c-]c(C)[c-]c6C)c45)CC3)cc2)s1.Cc1[c-]c(C)c(-c2c[nH]c3ncnc(N4CCNCC4)c23)c(C)[c-]1.[Y].[Y].[Y].[Y]
• InChI: InChI=1S/C30H31N9O3S2.C19H21N5.C10H12N4O2S2.2CH4.4Y/c1-5-24-35-36-29(43-24)37-44(41,42)22-8-6-21(7-9-22)34-30(40)39-12-10-38(11-13-39)28-26-23(16-31-27(26)32-17-33-28)25-19(3)14-18(2)15-20(25)4;1-12-8-13(2)16(14(3)9-12)15-10-21-18-17(15)19(23-11-22-18)24-6-4-20-5-7-24;1-2-9-12-13-10(17-9)14-18(15,16)8-5-3-7(11)4-6-8;;;;;;/h6-9,16-17H,5,10-13H2,1-4H3,(H,34,40)(H,36,37)(H,31,32,33);10-11,20H,4-7H2,1-3H3,(H,21,22,23);3-6H,2,11H2,1H3,(H,13,14);2*1H4;;;;/q2*-2
• InChIKey: JVCHXHXPNZWFGQ-UHFFFAOYSA-N
• XLogP: 10.03
• TPSA: 303.91 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1621.26
LogP ≤ 5	10.03
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;methane;4-piperazin-1-yl-5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;tetrakis(yttrium)?

The IUPAC name of 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;methane;4-piperazin-1-yl-5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;tetrakis(yttrium) (CID 159017859) is 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;methane;4-piperazin-1-yl-5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;tetrakis(yttrium).

What is the SMILES notation for 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;methane;4-piperazin-1-yl-5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;tetrakis(yttrium)?

The canonical SMILES for 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;methane;4-piperazin-1-yl-5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;tetrakis(yttrium) is C.C.CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1.CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)N3CCN(c4ncnc5[nH]cc(-c6c(C)[c-]c(C)[c-]c6C)c45)CC3)cc2)s1.Cc1[c-]c(C)c(-c2c[nH]c3ncnc(N4CCNCC4)c23)c(C)[c-]1.[Y].[Y].[Y].[Y].

What is the InChIKey of 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;methane;4-piperazin-1-yl-5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;tetrakis(yttrium)?

The InChIKey is JVCHXHXPNZWFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N9O3S2.C19H21N5.C10H12N4O2S2.2CH4.4Y/c1-5-24-35-36-29(43-24)37-44(41,42)22-8-6-21(7-9-22)34-30(40)39-12-10-38(11-13-39)28-26-23(16-31-27(26)32-17-33-28)25-19(3)14-18(2)15-20(25)4;1-12-8-13(2)16(14(3)9-12)15-10-21-18-17(15)19(23-11-22-18)24-6-4-20-5-7-24;1-2-9-12-13-10(17-9)14-18(15,16)8-5-3-7(11)4-6-8;;;;;;/h6-9,16-17H,5,10-13H2,1-4H3,(H,34,40)(H,36,37)(H,31,32,33);10-11,20H,4-7H2,1-3H3,(H,21,22,23);3-6H,2,11H2,1H3,(H,13,14);2*1H4;;;;/q2*-2;;;;;;;.

What are the key properties of 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;methane;4-piperazin-1-yl-5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;tetrakis(yttrium)?

4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;methane;4-piperazin-1-yl-5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;tetrakis(yttrium) has a molecular weight of 1621.26 g/mol, XLogP of 10.03, 13 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;methane;4-piperazin-1-yl-5-(2,4,6-trimethylbenzene-3,5-diid-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;tetrakis(yttrium) is sourced from PubChem (CID 159017859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).