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

C14H13NS — CID 21135400

IUPAC3-phenyl-2,4-dihydro-1,3-benzothiazine
SMILESc1ccc(N2CSc3ccccc3C2)cc1
InChIInChI=1S/C14H13NS/c1-2-7-13(8-3-1)15-10-12-6-4-5-9-14(12)16-11-15/h1-9H,10-11H2
InChIKeyFBIOPIHITXTIGE-UHFFFAOYSA-N
MW227.33 g/mol
LogP3.76
Rot. Bonds1

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

3-phenyl-2,4-dihydro-1,3-benzothiazine (PubChem CID 21135400) has the molecular formula C14H13NS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-phenyl-2,4-dihydro-1,3-benzothiazine.

Molecular Properties

Compound Name3-phenyl-2,4-dihydro-1,3-benzothiazine
PubChem CID21135400
Molecular FormulaC14H13NS
Molecular Weight227.33 g/mol
Exact Mass227.08
IUPAC Name3-phenyl-2,4-dihydro-1,3-benzothiazine
SMILESc1ccc(N2CSc3ccccc3C2)cc1
InChIInChI=1S/C14H13NS/c1-2-7-13(8-3-1)15-10-12-6-4-5-9-14(12)16-11-15/h1-9H,10-11H2
InChIKeyFBIOPIHITXTIGE-UHFFFAOYSA-N
XLogP3.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2,4-dihydro-1,3-benzothiazine?
The IUPAC name of 3-phenyl-2,4-dihydro-1,3-benzothiazine (CID 21135400) is 3-phenyl-2,4-dihydro-1,3-benzothiazine.
What is the SMILES notation for 3-phenyl-2,4-dihydro-1,3-benzothiazine?
The canonical SMILES for 3-phenyl-2,4-dihydro-1,3-benzothiazine is c1ccc(N2CSc3ccccc3C2)cc1.
What is the InChIKey of 3-phenyl-2,4-dihydro-1,3-benzothiazine?
The InChIKey is FBIOPIHITXTIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NS/c1-2-7-13(8-3-1)15-10-12-6-4-5-9-14(12)16-11-15/h1-9H,10-11H2.
What are the key properties of 3-phenyl-2,4-dihydro-1,3-benzothiazine?
3-phenyl-2,4-dihydro-1,3-benzothiazine has a molecular weight of 227.33 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2,4-dihydro-1,3-benzothiazine is sourced from PubChem (CID 21135400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).