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

C90H102N22O10S6 — CID 158291083

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

2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate (PubChem CID 158291083) has the molecular formula C90H102N22O10S6 and a molecular weight of 1844.35 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate.

Molecular Properties

• Compound Name: 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate
• PubChem CID: 158291083
• Molecular Formula: C90H102N22O10S6
• Molecular Weight: 1844.35 g/mol
• Exact Mass: 1842.65
• IUPAC Name: 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate
• SMILES: CCN(CC)CCOC(=O)Cn1nc(C)cc1-c1nnc(-c2cccc(C)c2)s1.CCOC(=O)Cn1nc(C)cc1-c1nnc(-c2cccc(C)c2)s1.COC(=O)Cn1nc(C)cc1-c1nnc(-c2cccc(C)c2)s1.CSCOC(=O)Cn1nc(C)cc1-c1nnc(-c2cccc(C)c2)s1.Cc1cccc(-c2nnc(-c3cc(C)nn3CC(=O)OCCN(C)C)s2)c1
• InChI: InChI=1S/C21H27N5O2S.C19H23N5O2S.C17H18N4O2S2.C17H18N4O2S.C16H16N4O2S/c1-5-25(6-2)10-11-28-19(27)14-26-18(13-16(4)24-26)21-23-22-20(29-21)17-9-7-8-15(3)12-17;1-13-6-5-7-15(10-13)18-20-21-19(27-18)16-11-14(2)22-24(16)12-17(25)26-9-8-23(3)4;1-11-5-4-6-13(7-11)16-18-19-17(25-16)14-8-12(2)20-21(14)9-15(22)23-10-24-3;1-4-23-15(22)10-21-14(9-12(3)20-21)17-19-18-16(24-17)13-7-5-6-11(2)8-13;1-10-5-4-6-12(7-10)15-17-18-16(23-15)13-8-11(2)19-20(13)9-14(21)22-3/h7-9,12-13H,5-6,10-11,14H2,1-4H3;5-7,10-11H,8-9,12H2,1-4H3;4-8H,9-10H2,1-3H3;5-9H,4,10H2,1-3H3;4-8H,9H2,1-3H3
• InChIKey: GLIXWJPCJOBXOL-UHFFFAOYSA-N
• XLogP: 16.02
• TPSA: 355.98 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 31
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1844.35
LogP ≤ 5	16.02
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-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate?

The IUPAC name of 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate (CID 158291083) is 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[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-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate?

The canonical SMILES for 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate is CCN(CC)CCOC(=O)Cn1nc(C)cc1-c1nnc(-c2cccc(C)c2)s1.CCOC(=O)Cn1nc(C)cc1-c1nnc(-c2cccc(C)c2)s1.COC(=O)Cn1nc(C)cc1-c1nnc(-c2cccc(C)c2)s1.CSCOC(=O)Cn1nc(C)cc1-c1nnc(-c2cccc(C)c2)s1.Cc1cccc(-c2nnc(-c3cc(C)nn3CC(=O)OCCN(C)C)s2)c1.

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

The InChIKey is GLIXWJPCJOBXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2S.C19H23N5O2S.C17H18N4O2S2.C17H18N4O2S.C16H16N4O2S/c1-5-25(6-2)10-11-28-19(27)14-26-18(13-16(4)24-26)21-23-22-20(29-21)17-9-7-8-15(3)12-17;1-13-6-5-7-15(10-13)18-20-21-19(27-18)16-11-14(2)22-24(16)12-17(25)26-9-8-23(3)4;1-11-5-4-6-13(7-11)16-18-19-17(25-16)14-8-12(2)20-21(14)9-15(22)23-10-24-3;1-4-23-15(22)10-21-14(9-12(3)20-21)17-19-18-16(24-17)13-7-5-6-11(2)8-13;1-10-5-4-6-12(7-10)15-17-18-16(23-15)13-8-11(2)19-20(13)9-14(21)22-3/h7-9,12-13H,5-6,10-11,14H2,1-4H3;5-7,10-11H,8-9,12H2,1-4H3;4-8H,9-10H2,1-3H3;5-9H,4,10H2,1-3H3;4-8H,9H2,1-3H3.

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

2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate has a molecular weight of 1844.35 g/mol, XLogP of 16.02, 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-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate is sourced from PubChem (CID 158291083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).