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

C69H59Cl2F5N12OS4 — CID 157379206

IUPACN'-(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
SMILESN/C(=N\c1cc(Cl)cc(Cl)c1)N1CCSc2ccccc21.N/C(=N\c1ccc2ccccc2c1)N1CCSc2ccccc21.N/C(=N\c1cccc(F)c1F)N1CCSc2ccccc21.N/C(=N\c1cccc2ccccc12)N1CCS(=O)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C20H16F3N3OS.C19H17N3S.C15H13Cl2N3S.C15H13F2N3S/c21-20(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(22-11-12-23-18-8-4-3-7-17(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/h1-9,12H,10-11H2,(H2,24,25);1-10,13H,11-12H2,(H2,20,21);1-4,7-9H,5-6H2,(H2,18,19);1-7H,8-9H2,(H2,18,19)
InChIKeyBKRFMMFTZRXAKV-UHFFFAOYSA-N
MW1366.48 g/mol
LogP16.91
Rot. Bonds4

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'-(3,5-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 (PubChem CID 157379206) has the molecular formula C69H59Cl2F5N12OS4 and a molecular weight of 1366.48 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.

Molecular Properties

Compound NameN'-(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
PubChem CID157379206
Molecular FormulaC69H59Cl2F5N12OS4
Molecular Weight1366.48 g/mol
Exact Mass1364.31
IUPAC NameN'-(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
SMILESN/C(=N\c1cc(Cl)cc(Cl)c1)N1CCSc2ccccc21.N/C(=N\c1ccc2ccccc2c1)N1CCSc2ccccc21.N/C(=N\c1cccc(F)c1F)N1CCSc2ccccc21.N/C(=N\c1cccc2ccccc12)N1CCS(=O)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C20H16F3N3OS.C19H17N3S.C15H13Cl2N3S.C15H13F2N3S/c21-20(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(22-11-12-23-18-8-4-3-7-17(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/h1-9,12H,10-11H2,(H2,24,25);1-10,13H,11-12H2,(H2,20,21);1-4,7-9H,5-6H2,(H2,18,19);1-7H,8-9H2,(H2,18,19)
InChIKeyBKRFMMFTZRXAKV-UHFFFAOYSA-N
XLogP16.91
TPSA183.55 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001366.48
LogP ≤ 516.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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?
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 (CID 157379206) 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.
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?
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 is N/C(=N\c1cc(Cl)cc(Cl)c1)N1CCSc2ccccc21.N/C(=N\c1ccc2ccccc2c1)N1CCSc2ccccc21.N/C(=N\c1cccc(F)c1F)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?
The InChIKey is BKRFMMFTZRXAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3OS.C19H17N3S.C15H13Cl2N3S.C15H13F2N3S/c21-20(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(22-11-12-23-18-8-4-3-7-17(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/h1-9,12H,10-11H2,(H2,24,25);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'-(3,5-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 has a molecular weight of 1366.48 g/mol, XLogP of 16.91, 4 rotatable bonds, 4 hydrogen bond donors, and 8 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 is sourced from PubChem (CID 157379206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).