N'-(3,5-dichlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-(2,3-difluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-naphthalen-2-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-naphthalen-1-yl-1-oxo-6-(trifluoromethyl)-2,3-dihydro-1λ4,4-benzothiazine-4-carboximidamide;N'-(3-phenylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide

C109H99Cl2F5N18OS6 — CID 157307807

About N'-(3,5-dichlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-(2,3-difluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-naphthalen-2-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-naphthalen-1-yl-1-oxo-6-(trifluoromethyl)-2,3-dihydro-1λ4,4-benzothiazine-4-carboximidamide;N'-(3-phenylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide

N'-(3,5-dichlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-(2,3-difluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-naphthalen-2-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-naphthalen-1-yl-1-oxo-6-(trifluoromethyl)-2,3-dihydro-1λ4,4-benzothiazine-4-carboximidamide;N'-(3-phenylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide (PubChem CID 157307807) has the molecular formula C109H99Cl2F5N18OS6 and a molecular weight of 2035.41 g/mol. Its IUPAC name is N'-(3,5-dichlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-(2,3-difluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-naphthalen-2-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-naphthalen-1-yl-1-oxo-6-(trifluoromethyl)-2,3-dihydro-1λ4,4-benzothiazine-4-carboximidamide;N'-(3-phenylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide.

Molecular Properties

• Compound Name: N'-(3,5-dichlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-(2,3-difluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-naphthalen-2-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-naphthalen-1-yl-1-oxo-6-(trifluoromethyl)-2,3-dihydro-1λ4,4-benzothiazine-4-carboximidamide;N'-(3-phenylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide
• PubChem CID: 157307807
• Molecular Formula: C109H99Cl2F5N18OS6
• Molecular Weight: 2035.41 g/mol
• Exact Mass: 2032.59
• IUPAC Name: N'-(3,5-dichlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-(2,3-difluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-naphthalen-2-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-naphthalen-1-yl-1-oxo-6-(trifluoromethyl)-2,3-dihydro-1λ4,4-benzothiazine-4-carboximidamide;N'-(3-phenylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide
• SMILES: N/C(=N\c1cc(Cl)cc(Cl)c1)N1CCSc2ccccc21.N/C(=N\c1ccc2ccccc2c1)N1CCSc2ccccc21.N/C(=N\c1cccc(-c2ccccc2)c1)N1CCSc2ccccc21.N/C(=N\c1cccc(F)c1F)N1CCSc2ccccc21.N/C(=N\c1cccc2c1CCCC2)N1CCSc2ccccc21.N/C(=N\c1cccc2ccccc12)N1CCS(=O)c2ccc(C(F)(F)F)cc21
• InChI: InChI=1S/C21H19N3S.C20H16F3N3OS.C19H21N3S.C19H17N3S.C15H13Cl2N3S.C15H13F2N3S/c22-21(24-13-14-25-20-12-5-4-11-19(20)24)23-18-10-6-9-17(15-18)16-7-2-1-3-8-16;21-20(22,23)14-8-9-18-17(12-14)26(10-11-28(18)27)19(24)25-16-7-3-5-13-4-1-2-6-15(13)16;20-19(22-12-13-23-18-11-4-3-10-17(18)22)21-16-9-5-7-14-6-1-2-8-15(14)16;20-19(22-11-12-23-18-8-4-3-7-17(18)22)21-16-10-9-14-5-1-2-6-15(14)13-16;16-10-7-11(17)9-12(8-10)19-15(18)20-5-6-21-14-4-2-1-3-13(14)20;16-10-4-3-5-11(14(10)17)19-15(18)20-8-9-21-13-7-2-1-6-12(13)20/h1-12,15H,13-14H2,(H2,22,23);1-9,12H,10-11H2,(H2,24,25);3-5,7,9-11H,1-2,6,8,12-13H2,(H2,20,21);1-10,13H,11-12H2,(H2,20,21);1-4,7-9H,5-6H2,(H2,18,19);1-7H,8-9H2,(H2,18,19)
• InChIKey: BCRQBYXLCISDGB-UHFFFAOYSA-N
• XLogP: 25.94
• TPSA: 266.79 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2035.41
LogP ≤ 5	25.94
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dichlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-(2,3-difluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-naphthalen-2-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-naphthalen-1-yl-1-oxo-6-(trifluoromethyl)-2,3-dihydro-1λ4,4-benzothiazine-4-carboximidamide;N'-(3-phenylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide?

The IUPAC name of N'-(3,5-dichlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-(2,3-difluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-naphthalen-2-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-naphthalen-1-yl-1-oxo-6-(trifluoromethyl)-2,3-dihydro-1λ4,4-benzothiazine-4-carboximidamide;N'-(3-phenylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide (CID 157307807) is N'-(3,5-dichlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-(2,3-difluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-naphthalen-2-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-naphthalen-1-yl-1-oxo-6-(trifluoromethyl)-2,3-dihydro-1λ4,4-benzothiazine-4-carboximidamide;N'-(3-phenylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide.

What is the SMILES notation for N'-(3,5-dichlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-(2,3-difluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-naphthalen-2-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-naphthalen-1-yl-1-oxo-6-(trifluoromethyl)-2,3-dihydro-1λ4,4-benzothiazine-4-carboximidamide;N'-(3-phenylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide?

The canonical SMILES for N'-(3,5-dichlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-(2,3-difluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-naphthalen-2-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-naphthalen-1-yl-1-oxo-6-(trifluoromethyl)-2,3-dihydro-1λ4,4-benzothiazine-4-carboximidamide;N'-(3-phenylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide is N/C(=N\c1cc(Cl)cc(Cl)c1)N1CCSc2ccccc21.N/C(=N\c1ccc2ccccc2c1)N1CCSc2ccccc21.N/C(=N\c1cccc(-c2ccccc2)c1)N1CCSc2ccccc21.N/C(=N\c1cccc(F)c1F)N1CCSc2ccccc21.N/C(=N\c1cccc2c1CCCC2)N1CCSc2ccccc21.N/C(=N\c1cccc2ccccc12)N1CCS(=O)c2ccc(C(F)(F)F)cc21.

What is the InChIKey of N'-(3,5-dichlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-(2,3-difluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-naphthalen-2-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-naphthalen-1-yl-1-oxo-6-(trifluoromethyl)-2,3-dihydro-1λ4,4-benzothiazine-4-carboximidamide;N'-(3-phenylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide?

The InChIKey is BCRQBYXLCISDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3S.C20H16F3N3OS.C19H21N3S.C19H17N3S.C15H13Cl2N3S.C15H13F2N3S/c22-21(24-13-14-25-20-12-5-4-11-19(20)24)23-18-10-6-9-17(15-18)16-7-2-1-3-8-16;21-20(22,23)14-8-9-18-17(12-14)26(10-11-28(18)27)19(24)25-16-7-3-5-13-4-1-2-6-15(13)16;20-19(22-12-13-23-18-11-4-3-10-17(18)22)21-16-9-5-7-14-6-1-2-8-15(14)16;20-19(22-11-12-23-18-8-4-3-7-17(18)22)21-16-10-9-14-5-1-2-6-15(14)13-16;16-10-7-11(17)9-12(8-10)19-15(18)20-5-6-21-14-4-2-1-3-13(14)20;16-10-4-3-5-11(14(10)17)19-15(18)20-8-9-21-13-7-2-1-6-12(13)20/h1-12,15H,13-14H2,(H2,22,23);1-9,12H,10-11H2,(H2,24,25);3-5,7,9-11H,1-2,6,8,12-13H2,(H2,20,21);1-10,13H,11-12H2,(H2,20,21);1-4,7-9H,5-6H2,(H2,18,19);1-7H,8-9H2,(H2,18,19).

What are the key properties of N'-(3,5-dichlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-(2,3-difluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-naphthalen-2-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-naphthalen-1-yl-1-oxo-6-(trifluoromethyl)-2,3-dihydro-1λ4,4-benzothiazine-4-carboximidamide;N'-(3-phenylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide?

N'-(3,5-dichlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-(2,3-difluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-naphthalen-2-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-naphthalen-1-yl-1-oxo-6-(trifluoromethyl)-2,3-dihydro-1λ4,4-benzothiazine-4-carboximidamide;N'-(3-phenylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide has a molecular weight of 2035.41 g/mol, XLogP of 25.94, 7 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(3,5-dichlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-(2,3-difluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-naphthalen-2-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-naphthalen-1-yl-1-oxo-6-(trifluoromethyl)-2,3-dihydro-1λ4,4-benzothiazine-4-carboximidamide;N'-(3-phenylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide;N'-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-benzothiazine-4-carboximidamide is sourced from PubChem (CID 157307807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).