1,1-dioxo-N-(1-phenylethyl)-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-imine

C14H14N4O2S — CID 135506104

IUPAC1,1-dioxo-N-(1-phenylethyl)-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-imine
SMILESCC(/N=C1\Nc2ncccc2S(=O)(=O)N1)c1ccccc1
InChIInChI=1S/C14H14N4O2S/c1-10(11-6-3-2-4-7-11)16-14-17-13-12(8-5-9-15-13)21(19,20)18-14/h2-10H,1H3,(H2,15,16,17,18)
InChIKeyKVIYJNLHLWZSDA-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.90
Rot. Bonds2

About 1,1-dioxo-N-(1-phenylethyl)-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-imine

1,1-dioxo-N-(1-phenylethyl)-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-imine (PubChem CID 135506104) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 1,1-dioxo-N-(1-phenylethyl)-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-imine.

Molecular Properties

Compound Name1,1-dioxo-N-(1-phenylethyl)-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-imine
PubChem CID135506104
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name1,1-dioxo-N-(1-phenylethyl)-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-imine
SMILESCC(/N=C1\Nc2ncccc2S(=O)(=O)N1)c1ccccc1
InChIInChI=1S/C14H14N4O2S/c1-10(11-6-3-2-4-7-11)16-14-17-13-12(8-5-9-15-13)21(19,20)18-14/h2-10H,1H3,(H2,15,16,17,18)
InChIKeyKVIYJNLHLWZSDA-UHFFFAOYSA-N
XLogP1.90
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,1-dioxo-N-(1-phenylethyl)-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-imine 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

1,1-dioxo-N-(1-phenylethyl)-1,2-benzothiazol-3-imine
CID 135440745
1,1-dioxo-N-(1-pyridin-4-ylethyl)-1,2-benzothiazol-3-imine
CID 135893857
6-chloro-1,1-dioxo-N-(1-pyridin-2-ylethyl)-4H-1λ6,2,4-benzothiadiazin-3-imine
CID 135845260
5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1R)-1-phenylethyl]-1,2-thiazol-3-imine
CID 136917272
1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-amine
CID 3054010
6-deuterio-5-[(1R)-1-(2-fluorophenyl)ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-imine
CID 176764865
3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
CID 176990376
5-(3,5-difluorophenyl)-1,1-dioxo-N-(pyridin-2-ylmethyl)-4H-1λ6,2,4-benzothiadiazin-3-imine
CID 155256312
1,1-dioxo-N-prop-2-enyl-4H-1λ6,2,4-benzothiadiazin-3-imine
CID 135452016
1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine
CID 102238244
(2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 135901543
1,3-dimethyl-N-[(1R)-1-phenylethyl]imidazolidin-2-imine
CID 101094846

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(1-phenylethyl)-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-imine?
The IUPAC name of 1,1-dioxo-N-(1-phenylethyl)-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-imine (CID 135506104) is 1,1-dioxo-N-(1-phenylethyl)-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-imine.
What is the SMILES notation for 1,1-dioxo-N-(1-phenylethyl)-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-imine?
The canonical SMILES for 1,1-dioxo-N-(1-phenylethyl)-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-imine is CC(/N=C1\Nc2ncccc2S(=O)(=O)N1)c1ccccc1.
What is the InChIKey of 1,1-dioxo-N-(1-phenylethyl)-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-imine?
The InChIKey is KVIYJNLHLWZSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-10(11-6-3-2-4-7-11)16-14-17-13-12(8-5-9-15-13)21(19,20)18-14/h2-10H,1H3,(H2,15,16,17,18).
What are the key properties of 1,1-dioxo-N-(1-phenylethyl)-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-imine?
1,1-dioxo-N-(1-phenylethyl)-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-imine has a molecular weight of 302.36 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(1-phenylethyl)-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-imine is sourced from PubChem (CID 135506104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).