4,6-bis(4-methoxyphenyl)-6H-1,3-thiazin-2-amine

C18H18N2O2S — CID 3568687

IUPAC4,6-bis(4-methoxyphenyl)-6H-1,3-thiazin-2-amine
SMILESCOc1ccc(C2=CC(c3ccc(OC)cc3)SC(N)=N2)cc1
InChIInChI=1S/C18H18N2O2S/c1-21-14-7-3-12(4-8-14)16-11-17(23-18(19)20-16)13-5-9-15(22-2)10-6-13/h3-11,17H,1-2H3,(H2,19,20)
InChIKeyAQHKADGWDSGNBJ-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.85
Rot. Bonds4

About 4,6-bis(4-methoxyphenyl)-6H-1,3-thiazin-2-amine

4,6-bis(4-methoxyphenyl)-6H-1,3-thiazin-2-amine (PubChem CID 3568687) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4,6-bis(4-methoxyphenyl)-6H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4,6-bis(4-methoxyphenyl)-6H-1,3-thiazin-2-amine
PubChem CID3568687
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name4,6-bis(4-methoxyphenyl)-6H-1,3-thiazin-2-amine
SMILESCOc1ccc(C2=CC(c3ccc(OC)cc3)SC(N)=N2)cc1
InChIInChI=1S/C18H18N2O2S/c1-21-14-7-3-12(4-8-14)16-11-17(23-18(19)20-16)13-5-9-15(22-2)10-6-13/h3-11,17H,1-2H3,(H2,19,20)
InChIKeyAQHKADGWDSGNBJ-UHFFFAOYSA-N
XLogP3.85
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chlorophenyl)-4-(4-fluorophenyl)-6H-1,3-thiazin-2-amine
CID 3604744
4-(4-chlorophenyl)-6-(4-fluorophenyl)-6H-1,3-thiazin-2-amine
CID 3740915
(6S)-6-(2-chlorophenyl)-4-(4-methylphenyl)-6H-1,3-thiazin-2-amine
CID 7912962
4-methyl-6-phenyl-6H-1,3-thiazin-2-amine
CID 45096900
2-amino-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydropyridine-3-carbonitrile
CID 3275641
5-bromo-2-(4-methoxyphenyl)-1,3-thiazol-4-amine
CID 116864276
4-(4-methoxyphenyl)-6-phenyl-3,6-dihydro-1,3-thiazine-2-thione
CID 2725886
4-(4-methoxyphenyl)-2,6-diphenyl-2H-thiopyran
CID 70401522
5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 692882
1-[5-amino-2-(4-methoxyphenyl)-2H-1,3,4-thiadiazol-3-yl]ethanone;hydroiodide
CID 18527409
N-[4-tert-butyl-6-(4-methoxyphenyl)-6H-1,3-thiazin-2-yl]acetamide
CID 71483803
2-bromo-4-(4-methoxyphenyl)aniline
CID 115051245

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-methoxyphenyl)-6H-1,3-thiazin-2-amine?
The IUPAC name of 4,6-bis(4-methoxyphenyl)-6H-1,3-thiazin-2-amine (CID 3568687) is 4,6-bis(4-methoxyphenyl)-6H-1,3-thiazin-2-amine.
What is the SMILES notation for 4,6-bis(4-methoxyphenyl)-6H-1,3-thiazin-2-amine?
The canonical SMILES for 4,6-bis(4-methoxyphenyl)-6H-1,3-thiazin-2-amine is COc1ccc(C2=CC(c3ccc(OC)cc3)SC(N)=N2)cc1.
What is the InChIKey of 4,6-bis(4-methoxyphenyl)-6H-1,3-thiazin-2-amine?
The InChIKey is AQHKADGWDSGNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-21-14-7-3-12(4-8-14)16-11-17(23-18(19)20-16)13-5-9-15(22-2)10-6-13/h3-11,17H,1-2H3,(H2,19,20).
What are the key properties of 4,6-bis(4-methoxyphenyl)-6H-1,3-thiazin-2-amine?
4,6-bis(4-methoxyphenyl)-6H-1,3-thiazin-2-amine has a molecular weight of 326.42 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-methoxyphenyl)-6H-1,3-thiazin-2-amine is sourced from PubChem (CID 3568687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).