4-(4-methylphenyl)-6-phenyl-6H-1,3-thiazin-2-amine

C17H16N2S — CID 4626435

IUPAC4-(4-methylphenyl)-6-phenyl-6H-1,3-thiazin-2-amine
SMILESCc1ccc(C2=CC(c3ccccc3)SC(N)=N2)cc1
InChIInChI=1S/C17H16N2S/c1-12-7-9-13(10-8-12)15-11-16(20-17(18)19-15)14-5-3-2-4-6-14/h2-11,16H,1H3,(H2,18,19)
InChIKeyJFBYIPZOBVQAOA-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.14
Rot. Bonds2

About 4-(4-methylphenyl)-6-phenyl-6H-1,3-thiazin-2-amine

4-(4-methylphenyl)-6-phenyl-6H-1,3-thiazin-2-amine (PubChem CID 4626435) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 4-(4-methylphenyl)-6-phenyl-6H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-6-phenyl-6H-1,3-thiazin-2-amine
PubChem CID4626435
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name4-(4-methylphenyl)-6-phenyl-6H-1,3-thiazin-2-amine
SMILESCc1ccc(C2=CC(c3ccccc3)SC(N)=N2)cc1
InChIInChI=1S/C17H16N2S/c1-12-7-9-13(10-8-12)15-11-16(20-17(18)19-15)14-5-3-2-4-6-14/h2-11,16H,1H3,(H2,18,19)
InChIKeyJFBYIPZOBVQAOA-UHFFFAOYSA-N
XLogP4.14
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-methylphenyl)-6-phenyl-6H-1,3-thiazin-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 4-(4-methylphenyl)-6-phenyl-6H-1,3-thiazin-2-amine?
The IUPAC name of 4-(4-methylphenyl)-6-phenyl-6H-1,3-thiazin-2-amine (CID 4626435) is 4-(4-methylphenyl)-6-phenyl-6H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-(4-methylphenyl)-6-phenyl-6H-1,3-thiazin-2-amine?
The canonical SMILES for 4-(4-methylphenyl)-6-phenyl-6H-1,3-thiazin-2-amine is Cc1ccc(C2=CC(c3ccccc3)SC(N)=N2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-6-phenyl-6H-1,3-thiazin-2-amine?
The InChIKey is JFBYIPZOBVQAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-12-7-9-13(10-8-12)15-11-16(20-17(18)19-15)14-5-3-2-4-6-14/h2-11,16H,1H3,(H2,18,19).
What are the key properties of 4-(4-methylphenyl)-6-phenyl-6H-1,3-thiazin-2-amine?
4-(4-methylphenyl)-6-phenyl-6H-1,3-thiazin-2-amine has a molecular weight of 280.40 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-6-phenyl-6H-1,3-thiazin-2-amine is sourced from PubChem (CID 4626435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).