(2R)-6-(diethylamino)-3-methyl-2-phenyl-2H-1,3,5-thiadiazine-4-thione

C14H19N3S2 — CID 95989494

IUPAC(2R)-6-(diethylamino)-3-methyl-2-phenyl-2H-1,3,5-thiadiazine-4-thione
SMILESCCN(CC)C1=NC(=S)N(C)[C@@H](c2ccccc2)S1
InChIInChI=1S/C14H19N3S2/c1-4-17(5-2)14-15-13(18)16(3)12(19-14)11-9-7-6-8-10-11/h6-10,12H,4-5H2,1-3H3/t12-/m1/s1
InChIKeyNIKLUZSVHQVSSD-GFCCVEGCSA-N
MW293.46 g/mol
LogP3.35
Rot. Bonds3

About (2R)-6-(diethylamino)-3-methyl-2-phenyl-2H-1,3,5-thiadiazine-4-thione

(2R)-6-(diethylamino)-3-methyl-2-phenyl-2H-1,3,5-thiadiazine-4-thione (PubChem CID 95989494) has the molecular formula C14H19N3S2 and a molecular weight of 293.46 g/mol. Its IUPAC name is (2R)-6-(diethylamino)-3-methyl-2-phenyl-2H-1,3,5-thiadiazine-4-thione.

Molecular Properties

Compound Name(2R)-6-(diethylamino)-3-methyl-2-phenyl-2H-1,3,5-thiadiazine-4-thione
PubChem CID95989494
Molecular FormulaC14H19N3S2
Molecular Weight293.46 g/mol
Exact Mass293.10
IUPAC Name(2R)-6-(diethylamino)-3-methyl-2-phenyl-2H-1,3,5-thiadiazine-4-thione
SMILESCCN(CC)C1=NC(=S)N(C)[C@@H](c2ccccc2)S1
InChIInChI=1S/C14H19N3S2/c1-4-17(5-2)14-15-13(18)16(3)12(19-14)11-9-7-6-8-10-11/h6-10,12H,4-5H2,1-3H3/t12-/m1/s1
InChIKeyNIKLUZSVHQVSSD-GFCCVEGCSA-N
XLogP3.35
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-(diethylamino)-3-methyl-2-phenyl-2H-1,3,5-thiadiazine-4-thione?
The IUPAC name of (2R)-6-(diethylamino)-3-methyl-2-phenyl-2H-1,3,5-thiadiazine-4-thione (CID 95989494) is (2R)-6-(diethylamino)-3-methyl-2-phenyl-2H-1,3,5-thiadiazine-4-thione.
What is the SMILES notation for (2R)-6-(diethylamino)-3-methyl-2-phenyl-2H-1,3,5-thiadiazine-4-thione?
The canonical SMILES for (2R)-6-(diethylamino)-3-methyl-2-phenyl-2H-1,3,5-thiadiazine-4-thione is CCN(CC)C1=NC(=S)N(C)[C@@H](c2ccccc2)S1.
What is the InChIKey of (2R)-6-(diethylamino)-3-methyl-2-phenyl-2H-1,3,5-thiadiazine-4-thione?
The InChIKey is NIKLUZSVHQVSSD-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N3S2/c1-4-17(5-2)14-15-13(18)16(3)12(19-14)11-9-7-6-8-10-11/h6-10,12H,4-5H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-6-(diethylamino)-3-methyl-2-phenyl-2H-1,3,5-thiadiazine-4-thione?
(2R)-6-(diethylamino)-3-methyl-2-phenyl-2H-1,3,5-thiadiazine-4-thione has a molecular weight of 293.46 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(diethylamino)-3-methyl-2-phenyl-2H-1,3,5-thiadiazine-4-thione is sourced from PubChem (CID 95989494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).