N-[6-[1-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;5-bromo-1,3,4-thiadiazol-2-amine;deuterio(fluoro)methane;N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;2-pyridin-2-ylacetic acid;N-(6-pyrrolidin-3-ylpyridazin-3-yl)-2-[3-(trifluoromethoxy)phenyl]acetamide

C73H71BrF10N22O9S3 — CID 157400028

About N-[6-[1-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;5-bromo-1,3,4-thiadiazol-2-amine;deuterio(fluoro)methane;N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;2-pyridin-2-ylacetic acid;N-(6-pyrrolidin-3-ylpyridazin-3-yl)-2-[3-(trifluoromethoxy)phenyl]acetamide

N-[6-[1-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;5-bromo-1,3,4-thiadiazol-2-amine;deuterio(fluoro)methane;N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;2-pyridin-2-ylacetic acid;N-(6-pyrrolidin-3-ylpyridazin-3-yl)-2-[3-(trifluoromethoxy)phenyl]acetamide (PubChem CID 157400028) has the molecular formula C73H71BrF10N22O9S3 and a molecular weight of 1767.61 g/mol. Its IUPAC name is N-[6-[1-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;5-bromo-1,3,4-thiadiazol-2-amine;deuterio(fluoro)methane;N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;2-pyridin-2-ylacetic acid;N-(6-pyrrolidin-3-ylpyridazin-3-yl)-2-[3-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[6-[1-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;5-bromo-1,3,4-thiadiazol-2-amine;deuterio(fluoro)methane;N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;2-pyridin-2-ylacetic acid;N-(6-pyrrolidin-3-ylpyridazin-3-yl)-2-[3-(trifluoromethoxy)phenyl]acetamide
• PubChem CID: 157400028
• Molecular Formula: C73H71BrF10N22O9S3
• Molecular Weight: 1767.61 g/mol
• Exact Mass: 1765.40
• IUPAC Name: N-[6-[1-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;5-bromo-1,3,4-thiadiazol-2-amine;deuterio(fluoro)methane;N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;2-pyridin-2-ylacetic acid;N-(6-pyrrolidin-3-ylpyridazin-3-yl)-2-[3-(trifluoromethoxy)phenyl]acetamide
• SMILES: Nc1nnc(Br)s1.Nc1nnc(N2CCC(c3ccc(NC(=O)Cc4cccc(OC(F)(F)F)c4)nn3)C2)s1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(C2CCNC2)nn1.O=C(Cc1ccccn1)Cc1nnc(N2CCC(c3ccc(NC(=O)Cc4cccc(OC(F)(F)F)c4)nn3)C2)s1.O=C(O)Cc1ccccn1.[2H]CF
• InChI: InChI=1S/C27H24F3N7O3S.C19H18F3N7O2S.C17H17F3N4O2.C7H7NO2.C2H2BrN3S.CH3F/c28-27(29,30)40-21-6-3-4-17(12-21)13-24(39)32-23-8-7-22(33-34-23)18-9-11-37(16-18)26-36-35-25(41-26)15-20(38)14-19-5-1-2-10-31-19;20-19(21,22)31-13-3-1-2-11(8-13)9-16(30)24-15-5-4-14(25-26-15)12-6-7-29(10-12)18-28-27-17(23)32-18;18-17(19,20)26-13-3-1-2-11(8-13)9-16(25)22-15-5-4-14(23-24-15)12-6-7-21-10-12;9-7(10)5-6-3-1-2-4-8-6;3-1-5-6-2(4)7-1;1-2/h1-8,10,12,18H,9,11,13-16H2,(H,32,34,39);1-5,8,12H,6-7,9-10H2,(H2,23,27)(H,24,26,30);1-5,8,12,21H,6-7,9-10H2,(H,22,24,25);1-4H,5H2,(H,9,10);(H2,4,6);1H3/i;;;;;1D
• InChIKey: BNASXCNBEOQEFF-WTMQMJMGSA-N
• XLogP: 11.95
• TPSA: 420.37 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 23
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1767.61
LogP ≤ 5	11.95
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;5-bromo-1,3,4-thiadiazol-2-amine;deuterio(fluoro)methane;N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;2-pyridin-2-ylacetic acid;N-(6-pyrrolidin-3-ylpyridazin-3-yl)-2-[3-(trifluoromethoxy)phenyl]acetamide?

The IUPAC name of N-[6-[1-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;5-bromo-1,3,4-thiadiazol-2-amine;deuterio(fluoro)methane;N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;2-pyridin-2-ylacetic acid;N-(6-pyrrolidin-3-ylpyridazin-3-yl)-2-[3-(trifluoromethoxy)phenyl]acetamide (CID 157400028) is N-[6-[1-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;5-bromo-1,3,4-thiadiazol-2-amine;deuterio(fluoro)methane;N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;2-pyridin-2-ylacetic acid;N-(6-pyrrolidin-3-ylpyridazin-3-yl)-2-[3-(trifluoromethoxy)phenyl]acetamide.

What is the SMILES notation for N-[6-[1-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;5-bromo-1,3,4-thiadiazol-2-amine;deuterio(fluoro)methane;N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;2-pyridin-2-ylacetic acid;N-(6-pyrrolidin-3-ylpyridazin-3-yl)-2-[3-(trifluoromethoxy)phenyl]acetamide?

The canonical SMILES for N-[6-[1-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;5-bromo-1,3,4-thiadiazol-2-amine;deuterio(fluoro)methane;N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;2-pyridin-2-ylacetic acid;N-(6-pyrrolidin-3-ylpyridazin-3-yl)-2-[3-(trifluoromethoxy)phenyl]acetamide is Nc1nnc(Br)s1.Nc1nnc(N2CCC(c3ccc(NC(=O)Cc4cccc(OC(F)(F)F)c4)nn3)C2)s1.O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(C2CCNC2)nn1.O=C(Cc1ccccn1)Cc1nnc(N2CCC(c3ccc(NC(=O)Cc4cccc(OC(F)(F)F)c4)nn3)C2)s1.O=C(O)Cc1ccccn1.[2H]CF.

What is the InChIKey of N-[6-[1-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;5-bromo-1,3,4-thiadiazol-2-amine;deuterio(fluoro)methane;N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;2-pyridin-2-ylacetic acid;N-(6-pyrrolidin-3-ylpyridazin-3-yl)-2-[3-(trifluoromethoxy)phenyl]acetamide?

The InChIKey is BNASXCNBEOQEFF-WTMQMJMGSA-N. The full InChI is InChI=1S/C27H24F3N7O3S.C19H18F3N7O2S.C17H17F3N4O2.C7H7NO2.C2H2BrN3S.CH3F/c28-27(29,30)40-21-6-3-4-17(12-21)13-24(39)32-23-8-7-22(33-34-23)18-9-11-37(16-18)26-36-35-25(41-26)15-20(38)14-19-5-1-2-10-31-19;20-19(21,22)31-13-3-1-2-11(8-13)9-16(30)24-15-5-4-14(25-26-15)12-6-7-29(10-12)18-28-27-17(23)32-18;18-17(19,20)26-13-3-1-2-11(8-13)9-16(25)22-15-5-4-14(23-24-15)12-6-7-21-10-12;9-7(10)5-6-3-1-2-4-8-6;3-1-5-6-2(4)7-1;1-2/h1-8,10,12,18H,9,11,13-16H2,(H,32,34,39);1-5,8,12H,6-7,9-10H2,(H2,23,27)(H,24,26,30);1-5,8,12,21H,6-7,9-10H2,(H,22,24,25);1-4H,5H2,(H,9,10);(H2,4,6);1H3/i;;;;;1D.

What are the key properties of N-[6-[1-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;5-bromo-1,3,4-thiadiazol-2-amine;deuterio(fluoro)methane;N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;2-pyridin-2-ylacetic acid;N-(6-pyrrolidin-3-ylpyridazin-3-yl)-2-[3-(trifluoromethoxy)phenyl]acetamide?

N-[6-[1-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;5-bromo-1,3,4-thiadiazol-2-amine;deuterio(fluoro)methane;N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;2-pyridin-2-ylacetic acid;N-(6-pyrrolidin-3-ylpyridazin-3-yl)-2-[3-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 1767.61 g/mol, XLogP of 11.95, 23 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[1-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;5-bromo-1,3,4-thiadiazol-2-amine;deuterio(fluoro)methane;N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;2-pyridin-2-ylacetic acid;N-(6-pyrrolidin-3-ylpyridazin-3-yl)-2-[3-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 157400028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).