N-[(E)-1-naphthalen-2-ylethylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine

C19H15N3O2S — CID 95572225

IUPACN-[(E)-1-naphthalen-2-ylethylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine
SMILESC/C(=N\NC1=NS(=O)(=O)c2ccccc21)c1ccc2ccccc2c1
InChIInChI=1S/C19H15N3O2S/c1-13(15-11-10-14-6-2-3-7-16(14)12-15)20-21-19-17-8-4-5-9-18(17)25(23,24)22-19/h2-12H,1H3,(H,21,22)/b20-13+
InChIKeyHBNUWRGNKANBFT-DEDYPNTBSA-N
MW349.42 g/mol
LogP3.30
Rot. Bonds2

About N-[(E)-1-naphthalen-2-ylethylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine

N-[(E)-1-naphthalen-2-ylethylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine (PubChem CID 95572225) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[(E)-1-naphthalen-2-ylethylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine.

Molecular Properties

Compound NameN-[(E)-1-naphthalen-2-ylethylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine
PubChem CID95572225
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC NameN-[(E)-1-naphthalen-2-ylethylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine
SMILESC/C(=N\NC1=NS(=O)(=O)c2ccccc21)c1ccc2ccccc2c1
InChIInChI=1S/C19H15N3O2S/c1-13(15-11-10-14-6-2-3-7-16(14)12-15)20-21-19-17-8-4-5-9-18(17)25(23,24)22-19/h2-12H,1H3,(H,21,22)/b20-13+
InChIKeyHBNUWRGNKANBFT-DEDYPNTBSA-N
XLogP3.30
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,6-dimethyl-N-(1-naphthalen-2-ylethylideneamino)pyrimidin-2-amine
CID 3695756
2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzoic acid
CID 5378627
N-(1-naphthalen-2-ylethylideneamino)methanesulfonamide
CID 867251
N-[(Z)-1-naphthalen-2-ylethylideneamino]-4-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzamide;sulfuric acid
CID 75409659
N-(2,5-dimethylpyrrol-1-yl)-1,1-dioxo-1,2-benzothiazol-3-amine
CID 79107428
6-methyl-N-(1-naphthalen-2-ylethylideneamino)pyridine-2-carboxamide
CID 174219685
4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide
CID 4299606
N,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide
CID 4172674
N,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide
CID 92652613
3-hydroxy-N-(1-naphthalen-2-ylethylideneamino)naphthalene-2-carboxamide
CID 4655754
N-[1-(3-hydroxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 139767693
manganese(2+);[(E)-1-naphthalen-2-ylethylideneamino]thiourea;dichloride
CID 10474226

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-naphthalen-2-ylethylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine?
The IUPAC name of N-[(E)-1-naphthalen-2-ylethylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine (CID 95572225) is N-[(E)-1-naphthalen-2-ylethylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine.
What is the SMILES notation for N-[(E)-1-naphthalen-2-ylethylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine?
The canonical SMILES for N-[(E)-1-naphthalen-2-ylethylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine is C/C(=N\NC1=NS(=O)(=O)c2ccccc21)c1ccc2ccccc2c1.
What is the InChIKey of N-[(E)-1-naphthalen-2-ylethylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine?
The InChIKey is HBNUWRGNKANBFT-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-13(15-11-10-14-6-2-3-7-16(14)12-15)20-21-19-17-8-4-5-9-18(17)25(23,24)22-19/h2-12H,1H3,(H,21,22)/b20-13+.
What are the key properties of N-[(E)-1-naphthalen-2-ylethylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine?
N-[(E)-1-naphthalen-2-ylethylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine has a molecular weight of 349.42 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-naphthalen-2-ylethylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine is sourced from PubChem (CID 95572225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).