1,3,4-thiadiazol-2-amine;1,1,1-trifluoro-N-(2-methyl-1-propyl-3,4-dihydro-2H-quinolin-7-yl)methanesulfonamide;1,1,1-trifluoro-N-[2-methyl-1-propyl-6-(1,3,4-thiadiazol-2-yldiazenyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide

C32H41F6N11O4S4 — CID 161183861

About 1,3,4-thiadiazol-2-amine;1,1,1-trifluoro-N-(2-methyl-1-propyl-3,4-dihydro-2H-quinolin-7-yl)methanesulfonamide;1,1,1-trifluoro-N-[2-methyl-1-propyl-6-(1,3,4-thiadiazol-2-yldiazenyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide

1,3,4-thiadiazol-2-amine;1,1,1-trifluoro-N-(2-methyl-1-propyl-3,4-dihydro-2H-quinolin-7-yl)methanesulfonamide;1,1,1-trifluoro-N-[2-methyl-1-propyl-6-(1,3,4-thiadiazol-2-yldiazenyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide (PubChem CID 161183861) has the molecular formula C32H41F6N11O4S4 and a molecular weight of 886.01 g/mol. Its IUPAC name is 1,3,4-thiadiazol-2-amine;1,1,1-trifluoro-N-(2-methyl-1-propyl-3,4-dihydro-2H-quinolin-7-yl)methanesulfonamide;1,1,1-trifluoro-N-[2-methyl-1-propyl-6-(1,3,4-thiadiazol-2-yldiazenyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide.

Molecular Properties

• Compound Name: 1,3,4-thiadiazol-2-amine;1,1,1-trifluoro-N-(2-methyl-1-propyl-3,4-dihydro-2H-quinolin-7-yl)methanesulfonamide;1,1,1-trifluoro-N-[2-methyl-1-propyl-6-(1,3,4-thiadiazol-2-yldiazenyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide
• PubChem CID: 161183861
• Molecular Formula: C32H41F6N11O4S4
• Molecular Weight: 886.01 g/mol
• Exact Mass: 885.21
• IUPAC Name: 1,3,4-thiadiazol-2-amine;1,1,1-trifluoro-N-(2-methyl-1-propyl-3,4-dihydro-2H-quinolin-7-yl)methanesulfonamide;1,1,1-trifluoro-N-[2-methyl-1-propyl-6-(1,3,4-thiadiazol-2-yldiazenyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide
• SMILES: CCCN1c2cc(NS(=O)(=O)C(F)(F)F)c(/N=N/c3nncs3)cc2CCC1C.CCCN1c2cc(NS(=O)(=O)C(F)(F)F)ccc2CCC1C.Nc1nncs1
• InChI: InChI=1S/C16H19F3N6O2S2.C14H19F3N2O2S.C2H3N3S/c1-3-6-25-10(2)4-5-11-7-12(21-23-15-22-20-9-28-15)13(8-14(11)25)24-29(26,27)16(17,18)19;1-3-8-19-10(2)4-5-11-6-7-12(9-13(11)19)18-22(20,21)14(15,16)17;3-2-5-4-1-6-2/h7-10,24H,3-6H2,1-2H3;6-7,9-10,18H,3-5,8H2,1-2H3;1H,(H2,3,5)/b23-21+
• InChIKey: USVFSNXECTUMCS-GUSGXMBRSA-N
• XLogP: 8.39
• TPSA: 201.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	886.01
LogP ≤ 5	8.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3,4-thiadiazol-2-amine;1,1,1-trifluoro-N-(2-methyl-1-propyl-3,4-dihydro-2H-quinolin-7-yl)methanesulfonamide;1,1,1-trifluoro-N-[2-methyl-1-propyl-6-(1,3,4-thiadiazol-2-yldiazenyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide?

The IUPAC name of 1,3,4-thiadiazol-2-amine;1,1,1-trifluoro-N-(2-methyl-1-propyl-3,4-dihydro-2H-quinolin-7-yl)methanesulfonamide;1,1,1-trifluoro-N-[2-methyl-1-propyl-6-(1,3,4-thiadiazol-2-yldiazenyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide (CID 161183861) is 1,3,4-thiadiazol-2-amine;1,1,1-trifluoro-N-(2-methyl-1-propyl-3,4-dihydro-2H-quinolin-7-yl)methanesulfonamide;1,1,1-trifluoro-N-[2-methyl-1-propyl-6-(1,3,4-thiadiazol-2-yldiazenyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide.

What is the SMILES notation for 1,3,4-thiadiazol-2-amine;1,1,1-trifluoro-N-(2-methyl-1-propyl-3,4-dihydro-2H-quinolin-7-yl)methanesulfonamide;1,1,1-trifluoro-N-[2-methyl-1-propyl-6-(1,3,4-thiadiazol-2-yldiazenyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide?

The canonical SMILES for 1,3,4-thiadiazol-2-amine;1,1,1-trifluoro-N-(2-methyl-1-propyl-3,4-dihydro-2H-quinolin-7-yl)methanesulfonamide;1,1,1-trifluoro-N-[2-methyl-1-propyl-6-(1,3,4-thiadiazol-2-yldiazenyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide is CCCN1c2cc(NS(=O)(=O)C(F)(F)F)c(/N=N/c3nncs3)cc2CCC1C.CCCN1c2cc(NS(=O)(=O)C(F)(F)F)ccc2CCC1C.Nc1nncs1.

What is the InChIKey of 1,3,4-thiadiazol-2-amine;1,1,1-trifluoro-N-(2-methyl-1-propyl-3,4-dihydro-2H-quinolin-7-yl)methanesulfonamide;1,1,1-trifluoro-N-[2-methyl-1-propyl-6-(1,3,4-thiadiazol-2-yldiazenyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide?

The InChIKey is USVFSNXECTUMCS-GUSGXMBRSA-N. The full InChI is InChI=1S/C16H19F3N6O2S2.C14H19F3N2O2S.C2H3N3S/c1-3-6-25-10(2)4-5-11-7-12(21-23-15-22-20-9-28-15)13(8-14(11)25)24-29(26,27)16(17,18)19;1-3-8-19-10(2)4-5-11-6-7-12(9-13(11)19)18-22(20,21)14(15,16)17;3-2-5-4-1-6-2/h7-10,24H,3-6H2,1-2H3;6-7,9-10,18H,3-5,8H2,1-2H3;1H,(H2,3,5)/b23-21+;;.

What are the key properties of 1,3,4-thiadiazol-2-amine;1,1,1-trifluoro-N-(2-methyl-1-propyl-3,4-dihydro-2H-quinolin-7-yl)methanesulfonamide;1,1,1-trifluoro-N-[2-methyl-1-propyl-6-(1,3,4-thiadiazol-2-yldiazenyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide?

1,3,4-thiadiazol-2-amine;1,1,1-trifluoro-N-(2-methyl-1-propyl-3,4-dihydro-2H-quinolin-7-yl)methanesulfonamide;1,1,1-trifluoro-N-[2-methyl-1-propyl-6-(1,3,4-thiadiazol-2-yldiazenyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide has a molecular weight of 886.01 g/mol, XLogP of 8.39, 10 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,4-thiadiazol-2-amine;1,1,1-trifluoro-N-(2-methyl-1-propyl-3,4-dihydro-2H-quinolin-7-yl)methanesulfonamide;1,1,1-trifluoro-N-[2-methyl-1-propyl-6-(1,3,4-thiadiazol-2-yldiazenyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide is sourced from PubChem (CID 161183861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).