N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4,6-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carboxamide;N-ethyl-2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide

C112H118F6N24O17S6 — CID 161137349

About N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4,6-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carboxamide;N-ethyl-2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide

N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4,6-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carboxamide;N-ethyl-2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 161137349) has the molecular formula C112H118F6N24O17S6 and a molecular weight of 2378.72 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4,6-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carboxamide;N-ethyl-2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4,6-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carboxamide;N-ethyl-2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
• PubChem CID: 161137349
• Molecular Formula: C112H118F6N24O17S6
• Molecular Weight: 2378.72 g/mol
• Exact Mass: 2376.73
• IUPAC Name: N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4,6-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carboxamide;N-ethyl-2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
• SMILES: CCN(C(=O)CN1CCN(C(=O)c2ccccc2SCc2cc(C)no2)CC1)c1ccc(C)cc1.Cc1cc(CSc2ccccc2C(=O)NCCNc2nc3ccccc3s2)on1.Cc1cc(CSc2nc(C)cc(C)c2C(=O)NCCNc2ccc(C(C)(F)F)cc2[N+](=O)[O-])on1.Cc1cc(CSc2ncccc2C(=O)NCCNc2ccc(C(C)(F)F)cc2[N+](=O)[O-])on1.Cc1cc(CSc2ncncc2C(=O)NCCNc2ccc(C(C)(F)F)cc2[N+](=O)[O-])on1
• InChI: InChI=1S/C27H32N4O3S.C23H25F2N5O4S.C21H21F2N5O4S.C21H20N4O2S2.C20H20F2N6O4S/c1-4-31(22-11-9-20(2)10-12-22)26(32)18-29-13-15-30(16-14-29)27(33)24-7-5-6-8-25(24)35-19-23-17-21(3)28-34-23;1-13-9-14(2)28-22(35-12-17-10-15(3)29-34-17)20(13)21(31)27-8-7-26-18-6-5-16(23(4,24)25)11-19(18)30(32)33;1-13-10-15(32-27-13)12-33-20-16(4-3-7-26-20)19(29)25-9-8-24-17-6-5-14(21(2,22)23)11-18(17)28(30)31;1-14-12-15(27-25-14)13-28-18-8-4-2-6-16(18)20(26)22-10-11-23-21-24-17-7-3-5-9-19(17)29-21;1-12-7-14(32-27-12)10-33-19-15(9-23-11-26-19)18(29)25-6-5-24-16-4-3-13(20(2,21)22)8-17(16)28(30)31/h5-12,17H,4,13-16,18-19H2,1-3H3;5-6,9-11,26H,7-8,12H2,1-4H3,(H,27,31);3-7,10-11,24H,8-9,12H2,1-2H3,(H,25,29);2-9,12H,10-11,13H2,1H3,(H,22,26)(H,23,24);3-4,7-9,11,24H,5-6,10H2,1-2H3,(H,25,29)
• InChIKey: UMYURFPRRWKZIJ-UHFFFAOYSA-N
• XLogP: 22.73
• TPSA: 532.40 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 46
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2378.72
LogP ≤ 5	22.73
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4,6-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carboxamide;N-ethyl-2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide?

The IUPAC name of N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4,6-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carboxamide;N-ethyl-2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide (CID 161137349) is N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4,6-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carboxamide;N-ethyl-2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide.

What is the SMILES notation for N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4,6-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carboxamide;N-ethyl-2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide?

The canonical SMILES for N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4,6-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carboxamide;N-ethyl-2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide is CCN(C(=O)CN1CCN(C(=O)c2ccccc2SCc2cc(C)no2)CC1)c1ccc(C)cc1.Cc1cc(CSc2ccccc2C(=O)NCCNc2nc3ccccc3s2)on1.Cc1cc(CSc2nc(C)cc(C)c2C(=O)NCCNc2ccc(C(C)(F)F)cc2[N+](=O)[O-])on1.Cc1cc(CSc2ncccc2C(=O)NCCNc2ccc(C(C)(F)F)cc2[N+](=O)[O-])on1.Cc1cc(CSc2ncncc2C(=O)NCCNc2ccc(C(C)(F)F)cc2[N+](=O)[O-])on1.

What is the InChIKey of N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4,6-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carboxamide;N-ethyl-2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide?

The InChIKey is UMYURFPRRWKZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3S.C23H25F2N5O4S.C21H21F2N5O4S.C21H20N4O2S2.C20H20F2N6O4S/c1-4-31(22-11-9-20(2)10-12-22)26(32)18-29-13-15-30(16-14-29)27(33)24-7-5-6-8-25(24)35-19-23-17-21(3)28-34-23;1-13-9-14(2)28-22(35-12-17-10-15(3)29-34-17)20(13)21(31)27-8-7-26-18-6-5-16(23(4,24)25)11-19(18)30(32)33;1-13-10-15(32-27-13)12-33-20-16(4-3-7-26-20)19(29)25-9-8-24-17-6-5-14(21(2,22)23)11-18(17)28(30)31;1-14-12-15(27-25-14)13-28-18-8-4-2-6-16(18)20(26)22-10-11-23-21-24-17-7-3-5-9-19(17)29-21;1-12-7-14(32-27-12)10-33-19-15(9-23-11-26-19)18(29)25-6-5-24-16-4-3-13(20(2,21)22)8-17(16)28(30)31/h5-12,17H,4,13-16,18-19H2,1-3H3;5-6,9-11,26H,7-8,12H2,1-4H3,(H,27,31);3-7,10-11,24H,8-9,12H2,1-2H3,(H,25,29);2-9,12H,10-11,13H2,1H3,(H,22,26)(H,23,24);3-4,7-9,11,24H,5-6,10H2,1-2H3,(H,25,29).

What are the key properties of N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4,6-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carboxamide;N-ethyl-2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide?

N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4,6-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carboxamide;N-ethyl-2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 2378.72 g/mol, XLogP of 22.73, 46 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4,6-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carboxamide;N-ethyl-2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 161137349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).