2-phenyl-4H-1,3-benzothiazine

C14H11NS — CID 14510107

IUPAC2-phenyl-4H-1,3-benzothiazine
SMILESc1ccc(C2=NCc3ccccc3S2)cc1
InChIInChI=1S/C14H11NS/c1-2-6-11(7-3-1)14-15-10-12-8-4-5-9-13(12)16-14/h1-9H,10H2
InChIKeyLAXBKNIKCYQQRH-UHFFFAOYSA-N
MW225.32 g/mol
LogP3.74
Rot. Bonds1

About 2-phenyl-4H-1,3-benzothiazine

2-phenyl-4H-1,3-benzothiazine (PubChem CID 14510107) has the molecular formula C14H11NS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-phenyl-4H-1,3-benzothiazine.

Molecular Properties

Compound Name2-phenyl-4H-1,3-benzothiazine
PubChem CID14510107
Molecular FormulaC14H11NS
Molecular Weight225.32 g/mol
Exact Mass225.06
IUPAC Name2-phenyl-4H-1,3-benzothiazine
SMILESc1ccc(C2=NCc3ccccc3S2)cc1
InChIInChI=1S/C14H11NS/c1-2-6-11(7-3-1)14-15-10-12-8-4-5-9-13(12)16-14/h1-9H,10H2
InChIKeyLAXBKNIKCYQQRH-UHFFFAOYSA-N
XLogP3.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-phenyl-4H-1,3-benzothiazine 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

4H-1,3-Benzothiazine
CID 54177456
Diphenylthiazoline
CID 129773501
6-fluoro-2-methyl-4H-1,3-benzothiazine
CID 144061199
Benzenemethanamine, N-[[4-(methylthio)phenyl]methylene]-
CID 11736624
2-Benzyl-4,4-diethyl-4h-1,3-benzothiazine
CID 12244001
2-Phenyl-4,4-diethyl-4h-1,3-benzothiazine
CID 12244003
phenyl N-methylbenzenecarboximidothioate
CID 12557551
phenyl N-benzylbenzenecarboximidothioate
CID 12810347
N-benzyl-1-phenylsulfanylmethanimidoyl chloride
CID 15650988
N-benzyl-1,1-bis(phenylsulfanyl)methanimine
CID 16102196
4,4-Dibutyl-2-phenyl-1,3-benzothiazine
CID 101558534
3-benzyl-2-phenyl-4H-1,3-benzothiazin-3-ium iodide
CID 134919516

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4H-1,3-benzothiazine?
The IUPAC name of 2-phenyl-4H-1,3-benzothiazine (CID 14510107) is 2-phenyl-4H-1,3-benzothiazine.
What is the SMILES notation for 2-phenyl-4H-1,3-benzothiazine?
The canonical SMILES for 2-phenyl-4H-1,3-benzothiazine is c1ccc(C2=NCc3ccccc3S2)cc1.
What is the InChIKey of 2-phenyl-4H-1,3-benzothiazine?
The InChIKey is LAXBKNIKCYQQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NS/c1-2-6-11(7-3-1)14-15-10-12-8-4-5-9-13(12)16-14/h1-9H,10H2.
What are the key properties of 2-phenyl-4H-1,3-benzothiazine?
2-phenyl-4H-1,3-benzothiazine has a molecular weight of 225.32 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4H-1,3-benzothiazine is sourced from PubChem (CID 14510107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).