4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine

C18H20N2OS — CID 71680685

IUPAC4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCOc1cccc(-c2cccc(C3(C)CCSC(N)=N3)c2)c1
InChIInChI=1S/C18H20N2OS/c1-18(9-10-22-17(19)20-18)15-7-3-5-13(11-15)14-6-4-8-16(12-14)21-2/h3-8,11-12H,9-10H2,1-2H3,(H2,19,20)
InChIKeyXMHWIBGIDNZGAB-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.03
Rot. Bonds3

About 4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine

4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 71680685) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID71680685
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCOc1cccc(-c2cccc(C3(C)CCSC(N)=N3)c2)c1
InChIInChI=1S/C18H20N2OS/c1-18(9-10-22-17(19)20-18)15-7-3-5-13(11-15)14-6-4-8-16(12-14)21-2/h3-8,11-12H,9-10H2,1-2H3,(H2,19,20)
InChIKeyXMHWIBGIDNZGAB-UHFFFAOYSA-N
XLogP4.03
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (CID 71680685) is 4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is COc1cccc(-c2cccc(C3(C)CCSC(N)=N3)c2)c1.
What is the InChIKey of 4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is XMHWIBGIDNZGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-18(9-10-22-17(19)20-18)15-7-3-5-13(11-15)14-6-4-8-16(12-14)21-2/h3-8,11-12H,9-10H2,1-2H3,(H2,19,20).
What are the key properties of 4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 312.44 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 71680685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).