N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methoxypropanamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-2-methyl-1,3-benzoxazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide

C80H100F4N20O15S5 — CID 162166805

About N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methoxypropanamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-2-methyl-1,3-benzoxazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methoxypropanamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-2-methyl-1,3-benzoxazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 162166805) has the molecular formula C80H100F4N20O15S5 and a molecular weight of 1818.13 g/mol. Its IUPAC name is N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methoxypropanamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-2-methyl-1,3-benzoxazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methoxypropanamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-2-methyl-1,3-benzoxazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 162166805
• Molecular Formula: C80H100F4N20O15S5
• Molecular Weight: 1818.13 g/mol
• Exact Mass: 1816.62
• IUPAC Name: N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methoxypropanamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-2-methyl-1,3-benzoxazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: CN1C[C@@](C)(c2cc(NC(=O)c3cn4ccsc4n3)ccc2F)N=C(N)C(C)(C)S1(=O)=O.COCCC(=O)Nc1ccc(F)c([C@]2(C)CN(C)S(=O)(=O)C(C)(C)C(N)=N2)c1.Cc1cc(C(=O)Nc2ccc(F)c([C@]3(C)CN(C)S(=O)(=O)C(C)(C)C(N)=N3)c2)no1.Cc1nc2ccc(C(=O)Nc3ccc(F)c([C@]4(C)CN(C)S(=O)(=O)C(C)(C)C(N)=N4)c3)cc2o1
• InChI: InChI=1S/C23H26FN5O4S.C20H23FN6O3S2.C19H24FN5O4S.C18H27FN4O4S/c1-13-26-18-9-6-14(10-19(18)33-13)20(30)27-15-7-8-17(24)16(11-15)23(4)12-29(5)34(31,32)22(2,3)21(25)28-23;1-19(2)17(22)25-20(3,11-26(4)32(19,29)30)13-9-12(5-6-14(13)21)23-16(28)15-10-27-7-8-31-18(27)24-15;1-11-8-15(24-29-11)16(26)22-12-6-7-14(20)13(9-12)19(4)10-25(5)30(27,28)18(2,3)17(21)23-19;1-17(2)16(20)22-18(3,11-23(4)28(17,25)26)13-10-12(6-7-14(13)19)21-15(24)8-9-27-5/h6-11H,12H2,1-5H3,(H2,25,28)(H,27,30);5-10H,11H2,1-4H3,(H2,22,25)(H,23,28);6-9H,10H2,1-5H3,(H2,21,23)(H,22,26);6-7,10H,8-9,11H2,1-5H3,(H2,20,22)(H,21,24)/t23-;20-;19-;18-/m0000/s1
• InChIKey: ZNFYDTIYOKYDKW-DHMOMJPTSA-N
• XLogP: 8.99
• TPSA: 498.03 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 14
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1818.13
LogP ≤ 5	8.99
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methoxypropanamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-2-methyl-1,3-benzoxazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methoxypropanamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-2-methyl-1,3-benzoxazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 162166805) is N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methoxypropanamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-2-methyl-1,3-benzoxazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methoxypropanamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-2-methyl-1,3-benzoxazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methoxypropanamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-2-methyl-1,3-benzoxazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide is CN1C[C@@](C)(c2cc(NC(=O)c3cn4ccsc4n3)ccc2F)N=C(N)C(C)(C)S1(=O)=O.COCCC(=O)Nc1ccc(F)c([C@]2(C)CN(C)S(=O)(=O)C(C)(C)C(N)=N2)c1.Cc1cc(C(=O)Nc2ccc(F)c([C@]3(C)CN(C)S(=O)(=O)C(C)(C)C(N)=N3)c2)no1.Cc1nc2ccc(C(=O)Nc3ccc(F)c([C@]4(C)CN(C)S(=O)(=O)C(C)(C)C(N)=N4)c3)cc2o1.

What is the InChIKey of N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methoxypropanamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-2-methyl-1,3-benzoxazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide?

The InChIKey is ZNFYDTIYOKYDKW-DHMOMJPTSA-N. The full InChI is InChI=1S/C23H26FN5O4S.C20H23FN6O3S2.C19H24FN5O4S.C18H27FN4O4S/c1-13-26-18-9-6-14(10-19(18)33-13)20(30)27-15-7-8-17(24)16(11-15)23(4)12-29(5)34(31,32)22(2,3)21(25)28-23;1-19(2)17(22)25-20(3,11-26(4)32(19,29)30)13-9-12(5-6-14(13)21)23-16(28)15-10-27-7-8-31-18(27)24-15;1-11-8-15(24-29-11)16(26)22-12-6-7-14(20)13(9-12)19(4)10-25(5)30(27,28)18(2,3)17(21)23-19;1-17(2)16(20)22-18(3,11-23(4)28(17,25)26)13-10-12(6-7-14(13)19)21-15(24)8-9-27-5/h6-11H,12H2,1-5H3,(H2,25,28)(H,27,30);5-10H,11H2,1-4H3,(H2,22,25)(H,23,28);6-9H,10H2,1-5H3,(H2,21,23)(H,22,26);6-7,10H,8-9,11H2,1-5H3,(H2,20,22)(H,21,24)/t23-;20-;19-;18-/m0000/s1.

What are the key properties of N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methoxypropanamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-2-methyl-1,3-benzoxazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide?

N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methoxypropanamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-2-methyl-1,3-benzoxazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 1818.13 g/mol, XLogP of 8.99, 14 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-3-methoxypropanamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-2-methyl-1,3-benzoxazole-6-carboxamide;N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 162166805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).