(5S,6S)-5,6-dimethyl-2-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazine

C19H21NS — CID 134918459

IUPAC(5S,6S)-5,6-dimethyl-2-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazine
SMILESCc1ccc(C2=NC(c3ccccc3)[C@H](C)[C@H](C)S2)cc1
InChIInChI=1S/C19H21NS/c1-13-9-11-17(12-10-13)19-20-18(14(2)15(3)21-19)16-7-5-4-6-8-16/h4-12,14-15,18H,1-3H3/t14-,15+,18?/m1/s1
InChIKeyMUMJHQJAHXKNAI-ZCZZTKKGSA-N
MW295.45 g/mol
LogP5.25
Rot. Bonds2

About (5S,6S)-5,6-dimethyl-2-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazine

(5S,6S)-5,6-dimethyl-2-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazine (PubChem CID 134918459) has the molecular formula C19H21NS and a molecular weight of 295.45 g/mol. Its IUPAC name is (5S,6S)-5,6-dimethyl-2-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazine.

Molecular Properties

Compound Name(5S,6S)-5,6-dimethyl-2-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazine
PubChem CID134918459
Molecular FormulaC19H21NS
Molecular Weight295.45 g/mol
Exact Mass295.14
IUPAC Name(5S,6S)-5,6-dimethyl-2-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazine
SMILESCc1ccc(C2=NC(c3ccccc3)[C@H](C)[C@H](C)S2)cc1
InChIInChI=1S/C19H21NS/c1-13-9-11-17(12-10-13)19-20-18(14(2)15(3)21-19)16-7-5-4-6-8-16/h4-12,14-15,18H,1-3H3/t14-,15+,18?/m1/s1
InChIKeyMUMJHQJAHXKNAI-ZCZZTKKGSA-N
XLogP5.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.45
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5S,6S)-5,6-dimethyl-2-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-5,6-dimethyl-2-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazine?
The IUPAC name of (5S,6S)-5,6-dimethyl-2-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazine (CID 134918459) is (5S,6S)-5,6-dimethyl-2-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazine.
What is the SMILES notation for (5S,6S)-5,6-dimethyl-2-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazine?
The canonical SMILES for (5S,6S)-5,6-dimethyl-2-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazine is Cc1ccc(C2=NC(c3ccccc3)[C@H](C)[C@H](C)S2)cc1.
What is the InChIKey of (5S,6S)-5,6-dimethyl-2-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazine?
The InChIKey is MUMJHQJAHXKNAI-ZCZZTKKGSA-N. The full InChI is InChI=1S/C19H21NS/c1-13-9-11-17(12-10-13)19-20-18(14(2)15(3)21-19)16-7-5-4-6-8-16/h4-12,14-15,18H,1-3H3/t14-,15+,18?/m1/s1.
What are the key properties of (5S,6S)-5,6-dimethyl-2-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazine?
(5S,6S)-5,6-dimethyl-2-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazine has a molecular weight of 295.45 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-5,6-dimethyl-2-(4-methylphenyl)-4-phenyl-5,6-dihydro-4H-1,3-thiazine is sourced from PubChem (CID 134918459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).