5-chloro-2,3-dihydro-1H-inden-2-amine;N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;N-[(2R)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;ethyl 5-aminothiadiazole-4-carboxylate;ethyl 5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylate;5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylic acid;[5-(trifluoromethyl)-3-pyridinyl] formate

C81H61Cl3F15N23O14S5 — CID 164994775

About 5-chloro-2,3-dihydro-1H-inden-2-amine;N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;N-[(2R)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;ethyl 5-aminothiadiazole-4-carboxylate;ethyl 5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylate;5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylic acid;[5-(trifluoromethyl)-3-pyridinyl] formate

5-chloro-2,3-dihydro-1H-inden-2-amine;N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;N-[(2R)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;ethyl 5-aminothiadiazole-4-carboxylate;ethyl 5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylate;5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylic acid;[5-(trifluoromethyl)-3-pyridinyl] formate (PubChem CID 164994775) has the molecular formula C81H61Cl3F15N23O14S5 and a molecular weight of 2132.19 g/mol. Its IUPAC name is 5-chloro-2,3-dihydro-1H-inden-2-amine;N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;N-[(2R)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;ethyl 5-aminothiadiazole-4-carboxylate;ethyl 5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylate;5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylic acid;[5-(trifluoromethyl)-3-pyridinyl] formate.

Molecular Properties

• Compound Name: 5-chloro-2,3-dihydro-1H-inden-2-amine;N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;N-[(2R)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;ethyl 5-aminothiadiazole-4-carboxylate;ethyl 5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylate;5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylic acid;[5-(trifluoromethyl)-3-pyridinyl] formate
• PubChem CID: 164994775
• Molecular Formula: C81H61Cl3F15N23O14S5
• Molecular Weight: 2132.19 g/mol
• Exact Mass: 2129.22
• IUPAC Name: 5-chloro-2,3-dihydro-1H-inden-2-amine;N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;N-[(2R)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;ethyl 5-aminothiadiazole-4-carboxylate;ethyl 5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylate;5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylic acid;[5-(trifluoromethyl)-3-pyridinyl] formate
• SMILES: CCOC(=O)c1nnsc1N.CCOC(=O)c1nnsc1NC(=O)c1cncc(C(F)(F)F)c1.NC1Cc2ccc(Cl)cc2C1.O=C(Nc1snnc1C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1)c1cncc(C(F)(F)F)c1.O=C(Nc1snnc1C(=O)N[C@H]1Cc2ccc(Cl)cc2C1)c1cncc(C(F)(F)F)c1.O=C(Nc1snnc1C(=O)O)c1cncc(C(F)(F)F)c1.O=COc1cncc(C(F)(F)F)c1
• InChI: InChI=1S/2C19H13ClF3N5O2S.C12H9F3N4O3S.C10H5F3N4O3S.C9H10ClN.C7H4F3NO2.C5H7N3O2S/c2*20-13-2-1-9-5-14(6-10(9)4-13)25-17(30)15-18(31-28-27-15)26-16(29)11-3-12(8-24-7-11)19(21,22)23;1-2-22-11(21)8-10(23-19-18-8)17-9(20)6-3-7(5-16-4-6)12(13,14)15;11-10(12,13)5-1-4(2-14-3-5)7(18)15-8-6(9(19)20)16-17-21-8;10-8-2-1-6-4-9(11)5-7(6)3-8;8-7(9,10)5-1-6(13-4-12)3-11-2-5;1-2-10-5(9)3-4(6)11-8-7-3/h2*1-4,7-8,14H,5-6H2,(H,25,30)(H,26,29);3-5H,2H2,1H3,(H,17,20);1-3H,(H,15,18)(H,19,20);1-3,9H,4-5,11H2;1-4H;2,6H2,1H3/t2*14-;;;;;/m10...../s1
• InChIKey: HJTYZDUGQQVAAA-RYOKGTQGSA-N
• XLogP: 15.49
• TPSA: 536.19 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 19
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2132.19
LogP ≤ 5	15.49
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-dihydro-1H-inden-2-amine;N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;N-[(2R)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;ethyl 5-aminothiadiazole-4-carboxylate;ethyl 5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylate;5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylic acid;[5-(trifluoromethyl)-3-pyridinyl] formate?

The IUPAC name of 5-chloro-2,3-dihydro-1H-inden-2-amine;N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;N-[(2R)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;ethyl 5-aminothiadiazole-4-carboxylate;ethyl 5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylate;5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylic acid;[5-(trifluoromethyl)-3-pyridinyl] formate (CID 164994775) is 5-chloro-2,3-dihydro-1H-inden-2-amine;N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;N-[(2R)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;ethyl 5-aminothiadiazole-4-carboxylate;ethyl 5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylate;5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylic acid;[5-(trifluoromethyl)-3-pyridinyl] formate.

What is the SMILES notation for 5-chloro-2,3-dihydro-1H-inden-2-amine;N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;N-[(2R)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;ethyl 5-aminothiadiazole-4-carboxylate;ethyl 5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylate;5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylic acid;[5-(trifluoromethyl)-3-pyridinyl] formate?

The canonical SMILES for 5-chloro-2,3-dihydro-1H-inden-2-amine;N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;N-[(2R)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;ethyl 5-aminothiadiazole-4-carboxylate;ethyl 5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylate;5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylic acid;[5-(trifluoromethyl)-3-pyridinyl] formate is CCOC(=O)c1nnsc1N.CCOC(=O)c1nnsc1NC(=O)c1cncc(C(F)(F)F)c1.NC1Cc2ccc(Cl)cc2C1.O=C(Nc1snnc1C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1)c1cncc(C(F)(F)F)c1.O=C(Nc1snnc1C(=O)N[C@H]1Cc2ccc(Cl)cc2C1)c1cncc(C(F)(F)F)c1.O=C(Nc1snnc1C(=O)O)c1cncc(C(F)(F)F)c1.O=COc1cncc(C(F)(F)F)c1.

What is the InChIKey of 5-chloro-2,3-dihydro-1H-inden-2-amine;N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;N-[(2R)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;ethyl 5-aminothiadiazole-4-carboxylate;ethyl 5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylate;5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylic acid;[5-(trifluoromethyl)-3-pyridinyl] formate?

The InChIKey is HJTYZDUGQQVAAA-RYOKGTQGSA-N. The full InChI is InChI=1S/2C19H13ClF3N5O2S.C12H9F3N4O3S.C10H5F3N4O3S.C9H10ClN.C7H4F3NO2.C5H7N3O2S/c2*20-13-2-1-9-5-14(6-10(9)4-13)25-17(30)15-18(31-28-27-15)26-16(29)11-3-12(8-24-7-11)19(21,22)23;1-2-22-11(21)8-10(23-19-18-8)17-9(20)6-3-7(5-16-4-6)12(13,14)15;11-10(12,13)5-1-4(2-14-3-5)7(18)15-8-6(9(19)20)16-17-21-8;10-8-2-1-6-4-9(11)5-7(6)3-8;8-7(9,10)5-1-6(13-4-12)3-11-2-5;1-2-10-5(9)3-4(6)11-8-7-3/h2*1-4,7-8,14H,5-6H2,(H,25,30)(H,26,29);3-5H,2H2,1H3,(H,17,20);1-3H,(H,15,18)(H,19,20);1-3,9H,4-5,11H2;1-4H;2,6H2,1H3/t2*14-;;;;;/m10...../s1.

What are the key properties of 5-chloro-2,3-dihydro-1H-inden-2-amine;N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;N-[(2R)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;ethyl 5-aminothiadiazole-4-carboxylate;ethyl 5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylate;5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylic acid;[5-(trifluoromethyl)-3-pyridinyl] formate?

5-chloro-2,3-dihydro-1H-inden-2-amine;N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;N-[(2R)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;ethyl 5-aminothiadiazole-4-carboxylate;ethyl 5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylate;5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylic acid;[5-(trifluoromethyl)-3-pyridinyl] formate has a molecular weight of 2132.19 g/mol, XLogP of 15.49, 19 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2,3-dihydro-1H-inden-2-amine;N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;N-[(2R)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;ethyl 5-aminothiadiazole-4-carboxylate;ethyl 5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylate;5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylic acid;[5-(trifluoromethyl)-3-pyridinyl] formate is sourced from PubChem (CID 164994775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).