(7R,8R)-2-methyl-8-phenyl-7-phenylsulfanyl-7,8-dihydro-6H-[1,3]thiazino[3,2-b][1,2,4]triazin-3-one

C19H17N3OS2 — CID 27332086

IUPAC(7R,8R)-2-methyl-8-phenyl-7-phenylsulfanyl-7,8-dihydro-6H-[1,3]thiazino[3,2-b][1,2,4]triazin-3-one
SMILESCc1nn2c(nc1=O)SC[C@H](Sc1ccccc1)[C@H]2c1ccccc1
InChIInChI=1S/C19H17N3OS2/c1-13-18(23)20-19-22(21-13)17(14-8-4-2-5-9-14)16(12-24-19)25-15-10-6-3-7-11-15/h2-11,16-17H,12H2,1H3/t16-,17+/m0/s1
InChIKeyYVFSJUHCEQPPGQ-DLBZAZTESA-N
MW367.50 g/mol
LogP3.80
Rot. Bonds3

About (7R,8R)-2-methyl-8-phenyl-7-phenylsulfanyl-7,8-dihydro-6H-[1,3]thiazino[3,2-b][1,2,4]triazin-3-one

(7R,8R)-2-methyl-8-phenyl-7-phenylsulfanyl-7,8-dihydro-6H-[1,3]thiazino[3,2-b][1,2,4]triazin-3-one (PubChem CID 27332086) has the molecular formula C19H17N3OS2 and a molecular weight of 367.50 g/mol. Its IUPAC name is (7R,8R)-2-methyl-8-phenyl-7-phenylsulfanyl-7,8-dihydro-6H-[1,3]thiazino[3,2-b][1,2,4]triazin-3-one.

Molecular Properties

Compound Name(7R,8R)-2-methyl-8-phenyl-7-phenylsulfanyl-7,8-dihydro-6H-[1,3]thiazino[3,2-b][1,2,4]triazin-3-one
PubChem CID27332086
Molecular FormulaC19H17N3OS2
Molecular Weight367.50 g/mol
Exact Mass367.08
IUPAC Name(7R,8R)-2-methyl-8-phenyl-7-phenylsulfanyl-7,8-dihydro-6H-[1,3]thiazino[3,2-b][1,2,4]triazin-3-one
SMILESCc1nn2c(nc1=O)SC[C@H](Sc1ccccc1)[C@H]2c1ccccc1
InChIInChI=1S/C19H17N3OS2/c1-13-18(23)20-19-22(21-13)17(14-8-4-2-5-9-14)16(12-24-19)25-15-10-6-3-7-11-15/h2-11,16-17H,12H2,1H3/t16-,17+/m0/s1
InChIKeyYVFSJUHCEQPPGQ-DLBZAZTESA-N
XLogP3.80
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7R,8R)-2-methyl-8-phenyl-7-phenylsulfanyl-7,8-dihydro-6H-[1,3]thiazino[3,2-b][1,2,4]triazin-3-one?
The IUPAC name of (7R,8R)-2-methyl-8-phenyl-7-phenylsulfanyl-7,8-dihydro-6H-[1,3]thiazino[3,2-b][1,2,4]triazin-3-one (CID 27332086) is (7R,8R)-2-methyl-8-phenyl-7-phenylsulfanyl-7,8-dihydro-6H-[1,3]thiazino[3,2-b][1,2,4]triazin-3-one.
What is the SMILES notation for (7R,8R)-2-methyl-8-phenyl-7-phenylsulfanyl-7,8-dihydro-6H-[1,3]thiazino[3,2-b][1,2,4]triazin-3-one?
The canonical SMILES for (7R,8R)-2-methyl-8-phenyl-7-phenylsulfanyl-7,8-dihydro-6H-[1,3]thiazino[3,2-b][1,2,4]triazin-3-one is Cc1nn2c(nc1=O)SC[C@H](Sc1ccccc1)[C@H]2c1ccccc1.
What is the InChIKey of (7R,8R)-2-methyl-8-phenyl-7-phenylsulfanyl-7,8-dihydro-6H-[1,3]thiazino[3,2-b][1,2,4]triazin-3-one?
The InChIKey is YVFSJUHCEQPPGQ-DLBZAZTESA-N. The full InChI is InChI=1S/C19H17N3OS2/c1-13-18(23)20-19-22(21-13)17(14-8-4-2-5-9-14)16(12-24-19)25-15-10-6-3-7-11-15/h2-11,16-17H,12H2,1H3/t16-,17+/m0/s1.
What are the key properties of (7R,8R)-2-methyl-8-phenyl-7-phenylsulfanyl-7,8-dihydro-6H-[1,3]thiazino[3,2-b][1,2,4]triazin-3-one?
(7R,8R)-2-methyl-8-phenyl-7-phenylsulfanyl-7,8-dihydro-6H-[1,3]thiazino[3,2-b][1,2,4]triazin-3-one has a molecular weight of 367.50 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8R)-2-methyl-8-phenyl-7-phenylsulfanyl-7,8-dihydro-6H-[1,3]thiazino[3,2-b][1,2,4]triazin-3-one is sourced from PubChem (CID 27332086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).