2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate

C90H97Br5N22O10S6 — CID 159183348

About 2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate

2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate (PubChem CID 159183348) has the molecular formula C90H97Br5N22O10S6 and a molecular weight of 2238.83 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate.

Molecular Properties

• Compound Name: 2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate
• PubChem CID: 159183348
• Molecular Formula: C90H97Br5N22O10S6
• Molecular Weight: 2238.83 g/mol
• Exact Mass: 2232.20
• IUPAC Name: 2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate
• SMILES: CCN(CC)CCOC(=O)Cn1nc(C)c(Br)c1-c1nnc(-c2cccc(C)c2)s1.CCOC(=O)Cn1nc(C)c(Br)c1-c1nnc(-c2cccc(C)c2)s1.COC(=O)Cn1nc(C)c(Br)c1-c1nnc(-c2cccc(C)c2)s1.CSCOC(=O)Cn1nc(C)c(Br)c1-c1nnc(-c2cccc(C)c2)s1.Cc1cccc(-c2nnc(-c3c(Br)c(C)nn3CC(=O)OCCN(C)C)s2)c1
• InChI: InChI=1S/C21H26BrN5O2S.C19H22BrN5O2S.C17H17BrN4O2S2.C17H17BrN4O2S.C16H15BrN4O2S/c1-5-26(6-2)10-11-29-17(28)13-27-19(18(22)15(4)25-27)21-24-23-20(30-21)16-9-7-8-14(3)12-16;1-12-6-5-7-14(10-12)18-21-22-19(28-18)17-16(20)13(2)23-25(17)11-15(26)27-9-8-24(3)4;1-10-5-4-6-12(7-10)16-19-20-17(26-16)15-14(18)11(2)21-22(15)8-13(23)24-9-25-3;1-4-24-13(23)9-22-15(14(18)11(3)21-22)17-20-19-16(25-17)12-7-5-6-10(2)8-12;1-9-5-4-6-11(7-9)15-18-19-16(24-15)14-13(17)10(2)20-21(14)8-12(22)23-3/h7-9,12H,5-6,10-11,13H2,1-4H3;5-7,10H,8-9,11H2,1-4H3;4-7H,8-9H2,1-3H3;5-8H,4,9H2,1-3H3;4-7H,8H2,1-3H3
• InChIKey: KNEGYOOHZOKDIK-UHFFFAOYSA-N
• XLogP: 19.83
• TPSA: 355.98 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 31
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2238.83
LogP ≤ 5	19.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate?

The IUPAC name of 2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate (CID 159183348) is 2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate.

What is the SMILES notation for 2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate?

The canonical SMILES for 2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate is CCN(CC)CCOC(=O)Cn1nc(C)c(Br)c1-c1nnc(-c2cccc(C)c2)s1.CCOC(=O)Cn1nc(C)c(Br)c1-c1nnc(-c2cccc(C)c2)s1.COC(=O)Cn1nc(C)c(Br)c1-c1nnc(-c2cccc(C)c2)s1.CSCOC(=O)Cn1nc(C)c(Br)c1-c1nnc(-c2cccc(C)c2)s1.Cc1cccc(-c2nnc(-c3c(Br)c(C)nn3CC(=O)OCCN(C)C)s2)c1.

What is the InChIKey of 2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate?

The InChIKey is KNEGYOOHZOKDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN5O2S.C19H22BrN5O2S.C17H17BrN4O2S2.C17H17BrN4O2S.C16H15BrN4O2S/c1-5-26(6-2)10-11-29-17(28)13-27-19(18(22)15(4)25-27)21-24-23-20(30-21)16-9-7-8-14(3)12-16;1-12-6-5-7-14(10-12)18-21-22-19(28-18)17-16(20)13(2)23-25(17)11-15(26)27-9-8-24(3)4;1-10-5-4-6-12(7-10)16-19-20-17(26-16)15-14(18)11(2)21-22(15)8-13(23)24-9-25-3;1-4-24-13(23)9-22-15(14(18)11(3)21-22)17-20-19-16(25-17)12-7-5-6-10(2)8-12;1-9-5-4-6-11(7-9)15-18-19-16(24-15)14-13(17)10(2)20-21(14)8-12(22)23-3/h7-9,12H,5-6,10-11,13H2,1-4H3;5-7,10H,8-9,11H2,1-4H3;4-7H,8-9H2,1-3H3;5-8H,4,9H2,1-3H3;4-7H,8H2,1-3H3.

What are the key properties of 2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate?

2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate has a molecular weight of 2238.83 g/mol, XLogP of 19.83, 31 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate is sourced from PubChem (CID 159183348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).