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

C14H13NS — CID 4962428

IUPAC3-phenyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESc1ccc(C2CSc3ccccc3N2)cc1
InChIInChI=1S/C14H13NS/c1-2-6-11(7-3-1)13-10-16-14-9-5-4-8-12(14)15-13/h1-9,13,15H,10H2
InChIKeyGQUYLROCTSEJON-UHFFFAOYSA-N
MW227.33 g/mol
LogP3.95
Rot. Bonds1

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

3-phenyl-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 4962428) has the molecular formula C14H13NS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-phenyl-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name3-phenyl-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID4962428
Molecular FormulaC14H13NS
Molecular Weight227.33 g/mol
Exact Mass227.08
IUPAC Name3-phenyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESc1ccc(C2CSc3ccccc3N2)cc1
InChIInChI=1S/C14H13NS/c1-2-6-11(7-3-1)13-10-16-14-9-5-4-8-12(14)15-13/h1-9,13,15H,10H2
InChIKeyGQUYLROCTSEJON-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 3-phenyl-3,4-dihydro-2H-1,4-benzothiazine (CID 4962428) is 3-phenyl-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 3-phenyl-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 3-phenyl-3,4-dihydro-2H-1,4-benzothiazine is c1ccc(C2CSc3ccccc3N2)cc1.
What is the InChIKey of 3-phenyl-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is GQUYLROCTSEJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NS/c1-2-6-11(7-3-1)13-10-16-14-9-5-4-8-12(14)15-13/h1-9,13,15H,10H2.
What are the key properties of 3-phenyl-3,4-dihydro-2H-1,4-benzothiazine?
3-phenyl-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 227.33 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 4962428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).