3-(4-methylphenyl)-2H-1,4-benzothiazine

C15H13NS — CID 11413760

IUPAC3-(4-methylphenyl)-2H-1,4-benzothiazine
SMILESCc1ccc(C2=Nc3ccccc3SC2)cc1
InChIInChI=1S/C15H13NS/c1-11-6-8-12(9-7-11)14-10-17-15-5-3-2-4-13(15)16-14/h2-9H,10H2,1H3
InChIKeySFKYSWWVKDKMII-UHFFFAOYSA-N
MW239.34 g/mol
LogP4.22
Rot. Bonds1

About 3-(4-methylphenyl)-2H-1,4-benzothiazine

3-(4-methylphenyl)-2H-1,4-benzothiazine (PubChem CID 11413760) has the molecular formula C15H13NS and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2H-1,4-benzothiazine.

Molecular Properties

Compound Name3-(4-methylphenyl)-2H-1,4-benzothiazine
PubChem CID11413760
Molecular FormulaC15H13NS
Molecular Weight239.34 g/mol
Exact Mass239.08
IUPAC Name3-(4-methylphenyl)-2H-1,4-benzothiazine
SMILESCc1ccc(C2=Nc3ccccc3SC2)cc1
InChIInChI=1S/C15H13NS/c1-11-6-8-12(9-7-11)14-10-17-15-5-3-2-4-13(15)16-14/h2-9H,10H2,1H3
InChIKeySFKYSWWVKDKMII-UHFFFAOYSA-N
XLogP4.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-methylphenyl)-2H-1,4-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

2,4-Diphenyl-2,3-dihydro-1,5-benzothiazepine
CID 611171
2-(4-Methylphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
CID 2728660
2H-1,4-Benzothiazine, 3-phenyl-
CID 415876
4-Phenyl-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine
CID 4416990
3-(4-Nitro-phenyl)-2H-benzo[1,4]thiazine
CID 12695062
3-phenyl-6-(trifluoromethyl)-2H-1,4-benzothiazine
CID 24905609
3-(4-chlorophenyl)-2H-1,4-benzothiazine
CID 34320165
3-(4-fluorophenyl)-2H-1,4-benzothiazine
CID 44568430
12-phenyl-11-(p-tolyl)-11a,12-dihydro-11H-indeno[2,1-c][1,5]benzothiazepine
CID 71462906
4aH-Phenothiazine
CID 16019991
7-phenyl-6a,7-dihydro-6H-thiochromeno[3,4-c][1,5]benzothiazepine
CID 2728656
3-(4-bromophenyl)-2H-1,4-benzothiazine
CID 4416907

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2H-1,4-benzothiazine?
The IUPAC name of 3-(4-methylphenyl)-2H-1,4-benzothiazine (CID 11413760) is 3-(4-methylphenyl)-2H-1,4-benzothiazine.
What is the SMILES notation for 3-(4-methylphenyl)-2H-1,4-benzothiazine?
The canonical SMILES for 3-(4-methylphenyl)-2H-1,4-benzothiazine is Cc1ccc(C2=Nc3ccccc3SC2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2H-1,4-benzothiazine?
The InChIKey is SFKYSWWVKDKMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NS/c1-11-6-8-12(9-7-11)14-10-17-15-5-3-2-4-13(15)16-14/h2-9H,10H2,1H3.
What are the key properties of 3-(4-methylphenyl)-2H-1,4-benzothiazine?
3-(4-methylphenyl)-2H-1,4-benzothiazine has a molecular weight of 239.34 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2H-1,4-benzothiazine is sourced from PubChem (CID 11413760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).