lithium;N-[5-[4-(4-acetyltriazol-1-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-(4-azidobutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;ethyl prop-2-ynoate;N-[5-(4-hydroxybutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;pyridin-2-ylmethanamine;N-(pyridin-2-ylmethyl)-1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxylic acid;hydroxide

C102H105F15LiN31O18S5 — CID 157486663

About lithium;N-[5-[4-(4-acetyltriazol-1-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-(4-azidobutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;ethyl prop-2-ynoate;N-[5-(4-hydroxybutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;pyridin-2-ylmethanamine;N-(pyridin-2-ylmethyl)-1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxylic acid;hydroxide

lithium;N-[5-[4-(4-acetyltriazol-1-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-(4-azidobutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;ethyl prop-2-ynoate;N-[5-(4-hydroxybutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;pyridin-2-ylmethanamine;N-(pyridin-2-ylmethyl)-1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxylic acid;hydroxide (PubChem CID 157486663) has the molecular formula C102H105F15LiN31O18S5 and a molecular weight of 2505.41 g/mol. Its IUPAC name is lithium;N-[5-[4-(4-acetyltriazol-1-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-(4-azidobutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;ethyl prop-2-ynoate;N-[5-(4-hydroxybutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;pyridin-2-ylmethanamine;N-(pyridin-2-ylmethyl)-1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxylic acid;hydroxide.

Molecular Properties

• Compound Name: lithium;N-[5-[4-(4-acetyltriazol-1-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-(4-azidobutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;ethyl prop-2-ynoate;N-[5-(4-hydroxybutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;pyridin-2-ylmethanamine;N-(pyridin-2-ylmethyl)-1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxylic acid;hydroxide
• PubChem CID: 157486663
• Molecular Formula: C102H105F15LiN31O18S5
• Molecular Weight: 2505.41 g/mol
• Exact Mass: 2503.68
• IUPAC Name: lithium;N-[5-[4-(4-acetyltriazol-1-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-(4-azidobutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;ethyl prop-2-ynoate;N-[5-(4-hydroxybutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;pyridin-2-ylmethanamine;N-(pyridin-2-ylmethyl)-1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxylic acid;hydroxide
• SMILES: C#CC(=O)OCC.CC(=O)c1cn(CCCCc2nnc(NC(=O)Cc3cccc(OC(F)(F)F)c3)s2)nn1.NCc1ccccn1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1nnc(CCCCO)s1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1nnc(CCCCn2cc(C(=O)NCc3ccccn3)nn2)s1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1nnc(CCCCn2cc(C(=O)O)nn2)s1.[Li+].[N-]=[N+]=NCCCCc1nnc(NC(=O)Cc2cccc(OC(F)(F)F)c2)s1.[OH-]
• InChI: InChI=1S/C24H23F3N8O3S.C19H19F3N6O3S.C18H17F3N6O4S.C15H15F3N6O2S.C15H16F3N3O3S.C6H8N2.C5H6O2.Li.H2O/c25-24(26,27)38-18-8-5-6-16(12-18)13-20(36)30-23-33-32-21(39-23)9-2-4-11-35-15-19(31-34-35)22(37)29-14-17-7-1-3-10-28-17;1-12(29)15-11-28(27-24-15)8-3-2-7-17-25-26-18(32-17)23-16(30)10-13-5-4-6-14(9-13)31-19(20,21)22;19-18(20,21)31-12-5-3-4-11(8-12)9-14(28)22-17-25-24-15(32-17)6-1-2-7-27-10-13(16(29)30)23-26-27;16-15(17,18)26-11-5-3-4-10(8-11)9-12(25)21-14-23-22-13(27-14)6-1-2-7-20-24-19;16-15(17,18)24-11-5-3-4-10(8-11)9-12(23)19-14-21-20-13(25-14)6-1-2-7-22;7-5-6-3-1-2-4-8-6;1-3-5(6)7-4-2;;/h1,3,5-8,10,12,15H,2,4,9,11,13-14H2,(H,29,37)(H,30,33,36);4-6,9,11H,2-3,7-8,10H2,1H3,(H,23,26,30);3-5,8,10H,1-2,6-7,9H2,(H,29,30)(H,22,25,28);3-5,8H,1-2,6-7,9H2,(H,21,23,25);3-5,8,22H,1-2,6-7,9H2,(H,19,21,23);1-4H,5,7H2;1H,4H2,2H3;;1H2/q;;;;;;;+1;/p-1
• InChIKey: BWUGRQWWVJFTFT-UHFFFAOYSA-M
• XLogP: 14.66
• TPSA: 673.24 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 45
• Rotatable Bonds: 51
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2505.41
LogP ≤ 5	14.66
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;N-[5-[4-(4-acetyltriazol-1-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-(4-azidobutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;ethyl prop-2-ynoate;N-[5-(4-hydroxybutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;pyridin-2-ylmethanamine;N-(pyridin-2-ylmethyl)-1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxylic acid;hydroxide?

The IUPAC name of lithium;N-[5-[4-(4-acetyltriazol-1-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-(4-azidobutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;ethyl prop-2-ynoate;N-[5-(4-hydroxybutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;pyridin-2-ylmethanamine;N-(pyridin-2-ylmethyl)-1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxylic acid;hydroxide (CID 157486663) is lithium;N-[5-[4-(4-acetyltriazol-1-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-(4-azidobutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;ethyl prop-2-ynoate;N-[5-(4-hydroxybutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;pyridin-2-ylmethanamine;N-(pyridin-2-ylmethyl)-1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxylic acid;hydroxide.

What is the SMILES notation for lithium;N-[5-[4-(4-acetyltriazol-1-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-(4-azidobutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;ethyl prop-2-ynoate;N-[5-(4-hydroxybutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;pyridin-2-ylmethanamine;N-(pyridin-2-ylmethyl)-1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxylic acid;hydroxide?

The canonical SMILES for lithium;N-[5-[4-(4-acetyltriazol-1-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-(4-azidobutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;ethyl prop-2-ynoate;N-[5-(4-hydroxybutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;pyridin-2-ylmethanamine;N-(pyridin-2-ylmethyl)-1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxylic acid;hydroxide is C#CC(=O)OCC.CC(=O)c1cn(CCCCc2nnc(NC(=O)Cc3cccc(OC(F)(F)F)c3)s2)nn1.NCc1ccccn1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1nnc(CCCCO)s1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1nnc(CCCCn2cc(C(=O)NCc3ccccn3)nn2)s1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1nnc(CCCCn2cc(C(=O)O)nn2)s1.[Li+].[N-]=[N+]=NCCCCc1nnc(NC(=O)Cc2cccc(OC(F)(F)F)c2)s1.[OH-].

What is the InChIKey of lithium;N-[5-[4-(4-acetyltriazol-1-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-(4-azidobutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;ethyl prop-2-ynoate;N-[5-(4-hydroxybutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;pyridin-2-ylmethanamine;N-(pyridin-2-ylmethyl)-1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxylic acid;hydroxide?

The InChIKey is BWUGRQWWVJFTFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H23F3N8O3S.C19H19F3N6O3S.C18H17F3N6O4S.C15H15F3N6O2S.C15H16F3N3O3S.C6H8N2.C5H6O2.Li.H2O/c25-24(26,27)38-18-8-5-6-16(12-18)13-20(36)30-23-33-32-21(39-23)9-2-4-11-35-15-19(31-34-35)22(37)29-14-17-7-1-3-10-28-17;1-12(29)15-11-28(27-24-15)8-3-2-7-17-25-26-18(32-17)23-16(30)10-13-5-4-6-14(9-13)31-19(20,21)22;19-18(20,21)31-12-5-3-4-11(8-12)9-14(28)22-17-25-24-15(32-17)6-1-2-7-27-10-13(16(29)30)23-26-27;16-15(17,18)26-11-5-3-4-10(8-11)9-12(25)21-14-23-22-13(27-14)6-1-2-7-20-24-19;16-15(17,18)24-11-5-3-4-10(8-11)9-12(23)19-14-21-20-13(25-14)6-1-2-7-22;7-5-6-3-1-2-4-8-6;1-3-5(6)7-4-2;;/h1,3,5-8,10,12,15H,2,4,9,11,13-14H2,(H,29,37)(H,30,33,36);4-6,9,11H,2-3,7-8,10H2,1H3,(H,23,26,30);3-5,8,10H,1-2,6-7,9H2,(H,29,30)(H,22,25,28);3-5,8H,1-2,6-7,9H2,(H,21,23,25);3-5,8,22H,1-2,6-7,9H2,(H,19,21,23);1-4H,5,7H2;1H,4H2,2H3;;1H2/q;;;;;;;+1;/p-1.

What are the key properties of lithium;N-[5-[4-(4-acetyltriazol-1-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-(4-azidobutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;ethyl prop-2-ynoate;N-[5-(4-hydroxybutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;pyridin-2-ylmethanamine;N-(pyridin-2-ylmethyl)-1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxylic acid;hydroxide?

lithium;N-[5-[4-(4-acetyltriazol-1-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-(4-azidobutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;ethyl prop-2-ynoate;N-[5-(4-hydroxybutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;pyridin-2-ylmethanamine;N-(pyridin-2-ylmethyl)-1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxylic acid;hydroxide has a molecular weight of 2505.41 g/mol, XLogP of 14.66, 51 rotatable bonds, 9 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;N-[5-[4-(4-acetyltriazol-1-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-(4-azidobutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;ethyl prop-2-ynoate;N-[5-(4-hydroxybutyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;pyridin-2-ylmethanamine;N-(pyridin-2-ylmethyl)-1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;1-[4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxylic acid;hydroxide is sourced from PubChem (CID 157486663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).