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

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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).