3,6-diphenyl-2,4-dihydro-1,3-thiazine

C16H15NS — CID 175817384

IUPAC3,6-diphenyl-2,4-dihydro-1,3-thiazine
SMILESC1=C(c2ccccc2)SCN(c2ccccc2)C1
InChIInChI=1S/C16H15NS/c1-3-7-14(8-4-1)16-11-12-17(13-18-16)15-9-5-2-6-10-15/h1-11H,12-13H2
InChIKeyURGNGBISUCQOCB-UHFFFAOYSA-N
MW253.37 g/mol
LogP4.24
Rot. Bonds2

About 3,6-diphenyl-2,4-dihydro-1,3-thiazine

3,6-diphenyl-2,4-dihydro-1,3-thiazine (PubChem CID 175817384) has the molecular formula C16H15NS and a molecular weight of 253.37 g/mol. Its IUPAC name is 3,6-diphenyl-2,4-dihydro-1,3-thiazine.

Molecular Properties

Compound Name3,6-diphenyl-2,4-dihydro-1,3-thiazine
PubChem CID175817384
Molecular FormulaC16H15NS
Molecular Weight253.37 g/mol
Exact Mass253.09
IUPAC Name3,6-diphenyl-2,4-dihydro-1,3-thiazine
SMILESC1=C(c2ccccc2)SCN(c2ccccc2)C1
InChIInChI=1S/C16H15NS/c1-3-7-14(8-4-1)16-11-12-17(13-18-16)15-9-5-2-6-10-15/h1-11H,12-13H2
InChIKeyURGNGBISUCQOCB-UHFFFAOYSA-N
XLogP4.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-2,4-dihydro-1,3-thiazine?
The IUPAC name of 3,6-diphenyl-2,4-dihydro-1,3-thiazine (CID 175817384) is 3,6-diphenyl-2,4-dihydro-1,3-thiazine.
What is the SMILES notation for 3,6-diphenyl-2,4-dihydro-1,3-thiazine?
The canonical SMILES for 3,6-diphenyl-2,4-dihydro-1,3-thiazine is C1=C(c2ccccc2)SCN(c2ccccc2)C1.
What is the InChIKey of 3,6-diphenyl-2,4-dihydro-1,3-thiazine?
The InChIKey is URGNGBISUCQOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NS/c1-3-7-14(8-4-1)16-11-12-17(13-18-16)15-9-5-2-6-10-15/h1-11H,12-13H2.
What are the key properties of 3,6-diphenyl-2,4-dihydro-1,3-thiazine?
3,6-diphenyl-2,4-dihydro-1,3-thiazine has a molecular weight of 253.37 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenyl-2,4-dihydro-1,3-thiazine is sourced from PubChem (CID 175817384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).