(2R)-2-phenyl-2-(trifluoromethyl)-6,7,8,9-tetrahydro-3H-[1,3,5]thiadiazino[3,2-a]azepin-4-one

C15H15F3N2OS — CID 2306074

IUPAC(2R)-2-phenyl-2-(trifluoromethyl)-6,7,8,9-tetrahydro-3H-[1,3,5]thiadiazino[3,2-a]azepin-4-one
SMILESO=C1N[C@@](c2ccccc2)(C(F)(F)F)SC2=CCCCCN12
InChIInChI=1S/C15H15F3N2OS/c16-15(17,18)14(11-7-3-1-4-8-11)19-13(21)20-10-6-2-5-9-12(20)22-14/h1,3-4,7-9H,2,5-6,10H2,(H,19,21)/t14-/m1/s1
InChIKeyIWJPJJGWCQBIIU-CQSZACIVSA-N
MW328.36 g/mol
LogP4.19
Rot. Bonds1

About (2R)-2-phenyl-2-(trifluoromethyl)-6,7,8,9-tetrahydro-3H-[1,3,5]thiadiazino[3,2-a]azepin-4-one

(2R)-2-phenyl-2-(trifluoromethyl)-6,7,8,9-tetrahydro-3H-[1,3,5]thiadiazino[3,2-a]azepin-4-one (PubChem CID 2306074) has the molecular formula C15H15F3N2OS and a molecular weight of 328.36 g/mol. Its IUPAC name is (2R)-2-phenyl-2-(trifluoromethyl)-6,7,8,9-tetrahydro-3H-[1,3,5]thiadiazino[3,2-a]azepin-4-one.

Molecular Properties

Compound Name(2R)-2-phenyl-2-(trifluoromethyl)-6,7,8,9-tetrahydro-3H-[1,3,5]thiadiazino[3,2-a]azepin-4-one
PubChem CID2306074
Molecular FormulaC15H15F3N2OS
Molecular Weight328.36 g/mol
Exact Mass328.09
IUPAC Name(2R)-2-phenyl-2-(trifluoromethyl)-6,7,8,9-tetrahydro-3H-[1,3,5]thiadiazino[3,2-a]azepin-4-one
SMILESO=C1N[C@@](c2ccccc2)(C(F)(F)F)SC2=CCCCCN12
InChIInChI=1S/C15H15F3N2OS/c16-15(17,18)14(11-7-3-1-4-8-11)19-13(21)20-10-6-2-5-9-12(20)22-14/h1,3-4,7-9H,2,5-6,10H2,(H,19,21)/t14-/m1/s1
InChIKeyIWJPJJGWCQBIIU-CQSZACIVSA-N
XLogP4.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-phenyl-2-(trifluoromethyl)-6,7,8,9-tetrahydro-3H-[1,3,5]thiadiazino[3,2-a]azepin-4-one 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 (2R)-2-phenyl-2-(trifluoromethyl)-6,7,8,9-tetrahydro-3H-[1,3,5]thiadiazino[3,2-a]azepin-4-one?
The IUPAC name of (2R)-2-phenyl-2-(trifluoromethyl)-6,7,8,9-tetrahydro-3H-[1,3,5]thiadiazino[3,2-a]azepin-4-one (CID 2306074) is (2R)-2-phenyl-2-(trifluoromethyl)-6,7,8,9-tetrahydro-3H-[1,3,5]thiadiazino[3,2-a]azepin-4-one.
What is the SMILES notation for (2R)-2-phenyl-2-(trifluoromethyl)-6,7,8,9-tetrahydro-3H-[1,3,5]thiadiazino[3,2-a]azepin-4-one?
The canonical SMILES for (2R)-2-phenyl-2-(trifluoromethyl)-6,7,8,9-tetrahydro-3H-[1,3,5]thiadiazino[3,2-a]azepin-4-one is O=C1N[C@@](c2ccccc2)(C(F)(F)F)SC2=CCCCCN12.
What is the InChIKey of (2R)-2-phenyl-2-(trifluoromethyl)-6,7,8,9-tetrahydro-3H-[1,3,5]thiadiazino[3,2-a]azepin-4-one?
The InChIKey is IWJPJJGWCQBIIU-CQSZACIVSA-N. The full InChI is InChI=1S/C15H15F3N2OS/c16-15(17,18)14(11-7-3-1-4-8-11)19-13(21)20-10-6-2-5-9-12(20)22-14/h1,3-4,7-9H,2,5-6,10H2,(H,19,21)/t14-/m1/s1.
What are the key properties of (2R)-2-phenyl-2-(trifluoromethyl)-6,7,8,9-tetrahydro-3H-[1,3,5]thiadiazino[3,2-a]azepin-4-one?
(2R)-2-phenyl-2-(trifluoromethyl)-6,7,8,9-tetrahydro-3H-[1,3,5]thiadiazino[3,2-a]azepin-4-one has a molecular weight of 328.36 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-(trifluoromethyl)-6,7,8,9-tetrahydro-3H-[1,3,5]thiadiazino[3,2-a]azepin-4-one is sourced from PubChem (CID 2306074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).