N-(furan-2-ylmethylideneamino)-N-methyl-1,1-dioxo-1,2-benzothiazol-3-amine

C13H11N3O3S — CID 5097674

IUPACN-(furan-2-ylmethylideneamino)-N-methyl-1,1-dioxo-1,2-benzothiazol-3-amine
SMILESCN(N=Cc1ccco1)C1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C13H11N3O3S/c1-16(14-9-10-5-4-8-19-10)13-11-6-2-3-7-12(11)20(17,18)15-13/h2-9H,1H3
InChIKeySWCGVLKCKVLWJF-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.69
Rot. Bonds2

About N-(furan-2-ylmethylideneamino)-N-methyl-1,1-dioxo-1,2-benzothiazol-3-amine

N-(furan-2-ylmethylideneamino)-N-methyl-1,1-dioxo-1,2-benzothiazol-3-amine (PubChem CID 5097674) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-(furan-2-ylmethylideneamino)-N-methyl-1,1-dioxo-1,2-benzothiazol-3-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethylideneamino)-N-methyl-1,1-dioxo-1,2-benzothiazol-3-amine
PubChem CID5097674
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC NameN-(furan-2-ylmethylideneamino)-N-methyl-1,1-dioxo-1,2-benzothiazol-3-amine
SMILESCN(N=Cc1ccco1)C1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C13H11N3O3S/c1-16(14-9-10-5-4-8-19-10)13-11-6-2-3-7-12(11)20(17,18)15-13/h2-9H,1H3
InChIKeySWCGVLKCKVLWJF-UHFFFAOYSA-N
XLogP1.69
TPSA75.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(furan-2-ylmethylideneamino)-N-methyl-1,1-dioxo-1,2-benzothiazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Furaldehyde (1,1-dioxido-1,2-benzisothiazol-3-yl)(methyl)hydrazone
CID 9607640
5-Bromo-2-furaldehyde (1,1-dioxido-1,2-benzisothiazol-3-yl)(methyl)hydrazone
CID 9657276
3-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1,2-benzothiazole 1,1-dioxide
CID 9671313
3-{(2E)-2-[(5-bromofuran-2-yl)methylidene]hydrazinyl}-1,2-benzothiazole 1,1-dioxide
CID 9689235
5-Methyl-2-furaldehyde (1,1-dioxido-1,2-benzisothiazol-3-yl)(methyl)hydrazone
CID 9679305
2-[(E)-furan-2-ylmethylideneamino]-1,2-benzothiazol-3-one
CID 10538245
N-cyclohexyl-3-[(2E)-1-(1,1-dioxido-1,2-benzisothiazol-3-yl)-2-(2-furylmethylene)hydrazino]propanamide
CID 9689541
CID 4312765
CID 4312765
N-(furan-2-ylmethylideneamino)-1,1-dioxo-1,2-benzothiazol-3-amine
CID 4452115
CID 4614007
CID 4614007
N-[(5-bromofuran-2-yl)methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine
CID 5028145
N'-(2-Furylmethylene)-N,4-dimethylbenzenesulfonohydrazide
CID 6897641

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylideneamino)-N-methyl-1,1-dioxo-1,2-benzothiazol-3-amine?
The IUPAC name of N-(furan-2-ylmethylideneamino)-N-methyl-1,1-dioxo-1,2-benzothiazol-3-amine (CID 5097674) is N-(furan-2-ylmethylideneamino)-N-methyl-1,1-dioxo-1,2-benzothiazol-3-amine.
What is the SMILES notation for N-(furan-2-ylmethylideneamino)-N-methyl-1,1-dioxo-1,2-benzothiazol-3-amine?
The canonical SMILES for N-(furan-2-ylmethylideneamino)-N-methyl-1,1-dioxo-1,2-benzothiazol-3-amine is CN(N=Cc1ccco1)C1=NS(=O)(=O)c2ccccc21.
What is the InChIKey of N-(furan-2-ylmethylideneamino)-N-methyl-1,1-dioxo-1,2-benzothiazol-3-amine?
The InChIKey is SWCGVLKCKVLWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c1-16(14-9-10-5-4-8-19-10)13-11-6-2-3-7-12(11)20(17,18)15-13/h2-9H,1H3.
What are the key properties of N-(furan-2-ylmethylideneamino)-N-methyl-1,1-dioxo-1,2-benzothiazol-3-amine?
N-(furan-2-ylmethylideneamino)-N-methyl-1,1-dioxo-1,2-benzothiazol-3-amine has a molecular weight of 289.32 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylideneamino)-N-methyl-1,1-dioxo-1,2-benzothiazol-3-amine is sourced from PubChem (CID 5097674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).