N-phenyl-4H-3,1-benzothiazin-2-amine

C14H12N2S — CID 2998436

IUPACN-phenyl-4H-3,1-benzothiazin-2-amine
SMILESc1ccc(NC2=Nc3ccccc3CS2)cc1
InChIInChI=1S/C14H12N2S/c1-2-7-12(8-3-1)15-14-16-13-9-5-4-6-11(13)10-17-14/h1-9H,10H2,(H,15,16)
InChIKeySBKNNFLJGWHKMG-UHFFFAOYSA-N
MW240.33 g/mol
LogP4.03
Rot. Bonds1

About N-phenyl-4H-3,1-benzothiazin-2-amine

N-phenyl-4H-3,1-benzothiazin-2-amine (PubChem CID 2998436) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-phenyl-4H-3,1-benzothiazin-2-amine.

Molecular Properties

Compound NameN-phenyl-4H-3,1-benzothiazin-2-amine
PubChem CID2998436
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC NameN-phenyl-4H-3,1-benzothiazin-2-amine
SMILESc1ccc(NC2=Nc3ccccc3CS2)cc1
InChIInChI=1S/C14H12N2S/c1-2-7-12(8-3-1)15-14-16-13-9-5-4-6-11(13)10-17-14/h1-9H,10H2,(H,15,16)
InChIKeySBKNNFLJGWHKMG-UHFFFAOYSA-N
XLogP4.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-phenyl-4H-3,1-benzothiazin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4H-3,1-benzothiazin-2-amine?
The IUPAC name of N-phenyl-4H-3,1-benzothiazin-2-amine (CID 2998436) is N-phenyl-4H-3,1-benzothiazin-2-amine.
What is the SMILES notation for N-phenyl-4H-3,1-benzothiazin-2-amine?
The canonical SMILES for N-phenyl-4H-3,1-benzothiazin-2-amine is c1ccc(NC2=Nc3ccccc3CS2)cc1.
What is the InChIKey of N-phenyl-4H-3,1-benzothiazin-2-amine?
The InChIKey is SBKNNFLJGWHKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-2-7-12(8-3-1)15-14-16-13-9-5-4-6-11(13)10-17-14/h1-9H,10H2,(H,15,16).
What are the key properties of N-phenyl-4H-3,1-benzothiazin-2-amine?
N-phenyl-4H-3,1-benzothiazin-2-amine has a molecular weight of 240.33 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4H-3,1-benzothiazin-2-amine is sourced from PubChem (CID 2998436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).