N'-naphthalen-1-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide

C19H17N3S — CID 19358185

IUPACN'-naphthalen-1-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide
SMILESN/C(=N\c1cccc2ccccc12)N1CCSc2ccccc21
InChIInChI=1S/C19H17N3S/c20-19(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/h1-11H,12-13H2,(H2,20,21)
InChIKeyDITXRBFTTUIEJI-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.40
Rot. Bonds1

About N'-naphthalen-1-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide

N'-naphthalen-1-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide (PubChem CID 19358185) has the molecular formula C19H17N3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N'-naphthalen-1-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide.

Molecular Properties

Compound NameN'-naphthalen-1-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide
PubChem CID19358185
Molecular FormulaC19H17N3S
Molecular Weight319.43 g/mol
Exact Mass319.11
IUPAC NameN'-naphthalen-1-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide
SMILESN/C(=N\c1cccc2ccccc12)N1CCSc2ccccc21
InChIInChI=1S/C19H17N3S/c20-19(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/h1-11H,12-13H2,(H2,20,21)
InChIKeyDITXRBFTTUIEJI-UHFFFAOYSA-N
XLogP4.40
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N'-naphthalen-1-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide
CID 19358178
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxyethanone
CID 16769847
[4-(aminomethyl)phenyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 61260592
2-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-ethylbutan-1-one
CID 79814596
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)ethanone
CID 31141458
3-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2,2-dimethylpropan-1-one
CID 113307633
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
3-[3-(2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxopropyl]-1,2,3-benzotriazin-4-one
CID 51262022
[1-(aminomethyl)cyclobutyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 113311670
7-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)heptan-1-one
CID 61260595
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-ethylbutan-1-one
CID 110713052
(2,6-difluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 78780639

Frequently Asked Questions

What is the IUPAC name of N'-naphthalen-1-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide?
The IUPAC name of N'-naphthalen-1-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide (CID 19358185) is N'-naphthalen-1-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide.
What is the SMILES notation for N'-naphthalen-1-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide?
The canonical SMILES for N'-naphthalen-1-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide is N/C(=N\c1cccc2ccccc12)N1CCSc2ccccc21.
What is the InChIKey of N'-naphthalen-1-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide?
The InChIKey is DITXRBFTTUIEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3S/c20-19(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/h1-11H,12-13H2,(H2,20,21).
What are the key properties of N'-naphthalen-1-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide?
N'-naphthalen-1-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide has a molecular weight of 319.43 g/mol, XLogP of 4.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-naphthalen-1-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide is sourced from PubChem (CID 19358185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).