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

C18H20N2OS — CID 71681635

IUPAC2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5,6-dihydro-1,3-thiazin-4-amine
SMILESCOc1cccc(-c2cccc(C3(C)N=C(N)CCS3)c2)c1
InChIInChI=1S/C18H20N2OS/c1-18(20-17(19)9-10-22-18)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)
InChIKeyCCSFGKCXOLFWQZ-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.03
Rot. Bonds3

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

2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5,6-dihydro-1,3-thiazin-4-amine (PubChem CID 71681635) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5,6-dihydro-1,3-thiazin-4-amine.

Molecular Properties

Compound Name2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5,6-dihydro-1,3-thiazin-4-amine
PubChem CID71681635
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5,6-dihydro-1,3-thiazin-4-amine
SMILESCOc1cccc(-c2cccc(C3(C)N=C(N)CCS3)c2)c1
InChIInChI=1S/C18H20N2OS/c1-18(20-17(19)9-10-22-18)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)
InChIKeyCCSFGKCXOLFWQZ-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 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5,6-dihydro-1,3-thiazin-4-amine?
The IUPAC name of 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5,6-dihydro-1,3-thiazin-4-amine (CID 71681635) is 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5,6-dihydro-1,3-thiazin-4-amine.
What is the SMILES notation for 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5,6-dihydro-1,3-thiazin-4-amine?
The canonical SMILES for 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5,6-dihydro-1,3-thiazin-4-amine is COc1cccc(-c2cccc(C3(C)N=C(N)CCS3)c2)c1.
What is the InChIKey of 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5,6-dihydro-1,3-thiazin-4-amine?
The InChIKey is CCSFGKCXOLFWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-18(20-17(19)9-10-22-18)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 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5,6-dihydro-1,3-thiazin-4-amine?
2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5,6-dihydro-1,3-thiazin-4-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 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5,6-dihydro-1,3-thiazin-4-amine is sourced from PubChem (CID 71681635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).