8-benzylidene-6-tert-butyl-4-phenyl-4,5,6,7-tetrahydro-3,1-benzothiazin-2-amine

C25H28N2S — CID 162787904

IUPAC8-benzylidene-6-tert-butyl-4-phenyl-4,5,6,7-tetrahydro-3,1-benzothiazin-2-amine
SMILESCC(C)(C)C1CC(=Cc2ccccc2)C2=C(C1)C(c1ccccc1)SC(N)=N2
InChIInChI=1S/C25H28N2S/c1-25(2,3)20-15-19(14-17-10-6-4-7-11-17)22-21(16-20)23(28-24(26)27-22)18-12-8-5-9-13-18/h4-14,20,23H,15-16H2,1-3H3,(H2,26,27)
InChIKeyVZLJUXADRRBQOO-UHFFFAOYSA-N
MW388.58 g/mol
LogP6.58
Rot. Bonds2

About 8-benzylidene-6-tert-butyl-4-phenyl-4,5,6,7-tetrahydro-3,1-benzothiazin-2-amine

8-benzylidene-6-tert-butyl-4-phenyl-4,5,6,7-tetrahydro-3,1-benzothiazin-2-amine (PubChem CID 162787904) has the molecular formula C25H28N2S and a molecular weight of 388.58 g/mol. Its IUPAC name is 8-benzylidene-6-tert-butyl-4-phenyl-4,5,6,7-tetrahydro-3,1-benzothiazin-2-amine.

Molecular Properties

Compound Name8-benzylidene-6-tert-butyl-4-phenyl-4,5,6,7-tetrahydro-3,1-benzothiazin-2-amine
PubChem CID162787904
Molecular FormulaC25H28N2S
Molecular Weight388.58 g/mol
Exact Mass388.20
IUPAC Name8-benzylidene-6-tert-butyl-4-phenyl-4,5,6,7-tetrahydro-3,1-benzothiazin-2-amine
SMILESCC(C)(C)C1CC(=Cc2ccccc2)C2=C(C1)C(c1ccccc1)SC(N)=N2
InChIInChI=1S/C25H28N2S/c1-25(2,3)20-15-19(14-17-10-6-4-7-11-17)22-21(16-20)23(28-24(26)27-22)18-12-8-5-9-13-18/h4-14,20,23H,15-16H2,1-3H3,(H2,26,27)
InChIKeyVZLJUXADRRBQOO-UHFFFAOYSA-N
XLogP6.58
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.58
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-benzylidene-6-tert-butyl-4-phenyl-4,5,6,7-tetrahydro-3,1-benzothiazin-2-amine 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 8-benzylidene-6-tert-butyl-4-phenyl-4,5,6,7-tetrahydro-3,1-benzothiazin-2-amine?
The IUPAC name of 8-benzylidene-6-tert-butyl-4-phenyl-4,5,6,7-tetrahydro-3,1-benzothiazin-2-amine (CID 162787904) is 8-benzylidene-6-tert-butyl-4-phenyl-4,5,6,7-tetrahydro-3,1-benzothiazin-2-amine.
What is the SMILES notation for 8-benzylidene-6-tert-butyl-4-phenyl-4,5,6,7-tetrahydro-3,1-benzothiazin-2-amine?
The canonical SMILES for 8-benzylidene-6-tert-butyl-4-phenyl-4,5,6,7-tetrahydro-3,1-benzothiazin-2-amine is CC(C)(C)C1CC(=Cc2ccccc2)C2=C(C1)C(c1ccccc1)SC(N)=N2.
What is the InChIKey of 8-benzylidene-6-tert-butyl-4-phenyl-4,5,6,7-tetrahydro-3,1-benzothiazin-2-amine?
The InChIKey is VZLJUXADRRBQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2S/c1-25(2,3)20-15-19(14-17-10-6-4-7-11-17)22-21(16-20)23(28-24(26)27-22)18-12-8-5-9-13-18/h4-14,20,23H,15-16H2,1-3H3,(H2,26,27).
What are the key properties of 8-benzylidene-6-tert-butyl-4-phenyl-4,5,6,7-tetrahydro-3,1-benzothiazin-2-amine?
8-benzylidene-6-tert-butyl-4-phenyl-4,5,6,7-tetrahydro-3,1-benzothiazin-2-amine has a molecular weight of 388.58 g/mol, XLogP of 6.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzylidene-6-tert-butyl-4-phenyl-4,5,6,7-tetrahydro-3,1-benzothiazin-2-amine is sourced from PubChem (CID 162787904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).