3-methyl-2-(4-nitroanilino)-2H-pyrido[3,2-e][1,3]thiazin-4-one

C14H12N4O3S — CID 142670866

IUPAC3-methyl-2-(4-nitroanilino)-2H-pyrido[3,2-e][1,3]thiazin-4-one
SMILESCN1C(=O)c2cccnc2SC1Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12N4O3S/c1-17-13(19)11-3-2-8-15-12(11)22-14(17)16-9-4-6-10(7-5-9)18(20)21/h2-8,14,16H,1H3
InChIKeyUGLCUCVOWIHZMM-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.56
Rot. Bonds3

About 3-methyl-2-(4-nitroanilino)-2H-pyrido[3,2-e][1,3]thiazin-4-one

3-methyl-2-(4-nitroanilino)-2H-pyrido[3,2-e][1,3]thiazin-4-one (PubChem CID 142670866) has the molecular formula C14H12N4O3S and a molecular weight of 316.34 g/mol. Its IUPAC name is 3-methyl-2-(4-nitroanilino)-2H-pyrido[3,2-e][1,3]thiazin-4-one.

Molecular Properties

Compound Name3-methyl-2-(4-nitroanilino)-2H-pyrido[3,2-e][1,3]thiazin-4-one
PubChem CID142670866
Molecular FormulaC14H12N4O3S
Molecular Weight316.34 g/mol
Exact Mass316.06
IUPAC Name3-methyl-2-(4-nitroanilino)-2H-pyrido[3,2-e][1,3]thiazin-4-one
SMILESCN1C(=O)c2cccnc2SC1Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12N4O3S/c1-17-13(19)11-3-2-8-15-12(11)22-14(17)16-9-4-6-10(7-5-9)18(20)21/h2-8,14,16H,1H3
InChIKeyUGLCUCVOWIHZMM-UHFFFAOYSA-N
XLogP2.56
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-methyl-2-(4-nitroanilino)-2H-pyrido[3,2-e][1,3]thiazin-4-one 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-(4-nitroanilino)-3-propyl-2H-pyrido[3,2-e][1,3]thiazin-4-one
CID 142670861
(7S)-6-(furan-2-ylmethyl)-7-(4-nitroanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92713939
6-(4-nitroanilino)-5,6-dihydro-1,10-phenanthrolin-5-ol
CID 102460072
(3S)-3-(4-nitroanilino)-3H-2-benzofuran-1-one
CID 7460415
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-4-nitrobenzamide
CID 3956330
(7R)-6-(4-methylphenyl)-7-(3-nitroanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92669360
6-(4-methylphenyl)-7-(3-nitroanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 46261899
(9S,10S)-10-(4-nitroanilino)-9,10-dihydrophenanthren-9-ol
CID 11110369
N-(4-nitrophenyl)pyrimidine-2-sulfonamide
CID 172600186
2-[[4-(4-nitrophenyl)anilino]methyl]isoindole-1,3-dione
CID 1373043
N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide
CID 53182583
N-(2,3-dimethylcyclopropyl)-4-nitroaniline
CID 134993461

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-nitroanilino)-2H-pyrido[3,2-e][1,3]thiazin-4-one?
The IUPAC name of 3-methyl-2-(4-nitroanilino)-2H-pyrido[3,2-e][1,3]thiazin-4-one (CID 142670866) is 3-methyl-2-(4-nitroanilino)-2H-pyrido[3,2-e][1,3]thiazin-4-one.
What is the SMILES notation for 3-methyl-2-(4-nitroanilino)-2H-pyrido[3,2-e][1,3]thiazin-4-one?
The canonical SMILES for 3-methyl-2-(4-nitroanilino)-2H-pyrido[3,2-e][1,3]thiazin-4-one is CN1C(=O)c2cccnc2SC1Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-methyl-2-(4-nitroanilino)-2H-pyrido[3,2-e][1,3]thiazin-4-one?
The InChIKey is UGLCUCVOWIHZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S/c1-17-13(19)11-3-2-8-15-12(11)22-14(17)16-9-4-6-10(7-5-9)18(20)21/h2-8,14,16H,1H3.
What are the key properties of 3-methyl-2-(4-nitroanilino)-2H-pyrido[3,2-e][1,3]thiazin-4-one?
3-methyl-2-(4-nitroanilino)-2H-pyrido[3,2-e][1,3]thiazin-4-one has a molecular weight of 316.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-nitroanilino)-2H-pyrido[3,2-e][1,3]thiazin-4-one is sourced from PubChem (CID 142670866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).