N-(2-amino-5-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide

C12H16FN3O3S — CID 43612136

IUPACN-(2-amino-5-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
SMILESNc1ccc(F)cc1NC(=O)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C12H16FN3O3S/c13-9-1-2-10(14)11(7-9)15-12(17)8-16-3-5-20(18,19)6-4-16/h1-2,7H,3-6,8,14H2,(H,15,17)
InChIKeyQAGFQWIVNZFKSL-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.08
Rot. Bonds3

About N-(2-amino-5-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide

N-(2-amino-5-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide (PubChem CID 43612136) has the molecular formula C12H16FN3O3S and a molecular weight of 301.34 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
PubChem CID43612136
Molecular FormulaC12H16FN3O3S
Molecular Weight301.34 g/mol
Exact Mass301.09
IUPAC NameN-(2-amino-5-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
SMILESNc1ccc(F)cc1NC(=O)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C12H16FN3O3S/c13-9-1-2-10(14)11(7-9)15-12(17)8-16-3-5-20(18,19)6-4-16/h1-2,7H,3-6,8,14H2,(H,15,17)
InChIKeyQAGFQWIVNZFKSL-UHFFFAOYSA-N
XLogP0.08
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-amino-5-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide 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

N-(2-amino-5-fluorophenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide
CID 61440078
N-(2-amino-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 16779735
N-(2-amino-4-chlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 43581141
N-(4-amino-2-bromophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 43581094
2-amino-N-(2-amino-5-fluorophenyl)acetamide
CID 110477650
N-(2-amino-5-fluorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide
CID 104967022
N-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide
CID 16778999
1-[2-(2-amino-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16792068
1-[2-(2-amino-5-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 64780467
N-(2,5-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 60642566
N-(2-amino-5-chlorophenyl)-2-piperidin-1-ylacetamide
CID 16793337
N-(2-amino-5-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
CID 43611892

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide (CID 43612136) is N-(2-amino-5-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide is Nc1ccc(F)cc1NC(=O)CN1CCS(=O)(=O)CC1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
The InChIKey is QAGFQWIVNZFKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3S/c13-9-1-2-10(14)11(7-9)15-12(17)8-16-3-5-20(18,19)6-4-16/h1-2,7H,3-6,8,14H2,(H,15,17).
What are the key properties of N-(2-amino-5-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
N-(2-amino-5-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide has a molecular weight of 301.34 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide is sourced from PubChem (CID 43612136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).