(6S)-6-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)-4,4,6-trimethyl-1,3-diazinane-2-thione

C20H24N2O3S — CID 7092649

IUPAC(6S)-6-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)-4,4,6-trimethyl-1,3-diazinane-2-thione
SMILESCOc1ccc(N2C(=S)NC(C)(C)C[C@@]2(C)c2ccc(O)cc2O)cc1
InChIInChI=1S/C20H24N2O3S/c1-19(2)12-20(3,16-10-7-14(23)11-17(16)24)22(18(26)21-19)13-5-8-15(25-4)9-6-13/h5-11,23-24H,12H2,1-4H3,(H,21,26)/t20-/m0/s1
InChIKeyUXIXRYICVDUZID-FQEVSTJZSA-N
MW372.49 g/mol
LogP3.88
Rot. Bonds3

About (6S)-6-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)-4,4,6-trimethyl-1,3-diazinane-2-thione

(6S)-6-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)-4,4,6-trimethyl-1,3-diazinane-2-thione (PubChem CID 7092649) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is (6S)-6-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)-4,4,6-trimethyl-1,3-diazinane-2-thione.

Molecular Properties

Compound Name(6S)-6-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)-4,4,6-trimethyl-1,3-diazinane-2-thione
PubChem CID7092649
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name(6S)-6-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)-4,4,6-trimethyl-1,3-diazinane-2-thione
SMILESCOc1ccc(N2C(=S)NC(C)(C)C[C@@]2(C)c2ccc(O)cc2O)cc1
InChIInChI=1S/C20H24N2O3S/c1-19(2)12-20(3,16-10-7-14(23)11-17(16)24)22(18(26)21-19)13-5-8-15(25-4)9-6-13/h5-11,23-24H,12H2,1-4H3,(H,21,26)/t20-/m0/s1
InChIKeyUXIXRYICVDUZID-FQEVSTJZSA-N
XLogP3.88
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(6R)-1-(4-bromo-3-methylphenyl)-6-(2,4-dihydroxyphenyl)-4,4,6-trimethyl-1,3-diazinane-2-thione
CID 27269576
(6R)-6-(2,4-dihydroxyphenyl)-1,4,4,6-tetramethyl-1,3-diazinane-2-thione
CID 1201962
1-(7-methoxy-3,3,4a-trimethyl-1-sulfanylidene-2,4-dihydropyrimido[1,6-a]benzimidazol-5-yl)ethanone
CID 10829457
1-(4-methoxyphenyl)-1,3,3-trimethyl-2H-inden-5-ol
CID 142243705
5-[4-(4-hydroxyphenoxy)phenyl]-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 87951826
3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 162403470
8-methoxyspiro[5H-phenanthridine-6,3'-azetidine]-3-ol
CID 164598697
1-(4-methoxyphenyl)imidazolidine-2-thione
CID 53443346
2-[1-(1-aminoethyl)cyclopropyl]-5-methoxyphenol
CID 117296056
(5S)-2,5-bis(4-methoxyphenyl)-5-methyl-1,2,4-triazolidine-3-thione
CID 100599629
(5R)-2,5-bis(4-methoxyphenyl)-5-methyl-1,2,4-triazolidine-3-thione
CID 100599639
1H-indol-6-ol;6-methoxy-1H-indole
CID 158260625

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)-4,4,6-trimethyl-1,3-diazinane-2-thione?
The IUPAC name of (6S)-6-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)-4,4,6-trimethyl-1,3-diazinane-2-thione (CID 7092649) is (6S)-6-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)-4,4,6-trimethyl-1,3-diazinane-2-thione.
What is the SMILES notation for (6S)-6-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)-4,4,6-trimethyl-1,3-diazinane-2-thione?
The canonical SMILES for (6S)-6-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)-4,4,6-trimethyl-1,3-diazinane-2-thione is COc1ccc(N2C(=S)NC(C)(C)C[C@@]2(C)c2ccc(O)cc2O)cc1.
What is the InChIKey of (6S)-6-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)-4,4,6-trimethyl-1,3-diazinane-2-thione?
The InChIKey is UXIXRYICVDUZID-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-19(2)12-20(3,16-10-7-14(23)11-17(16)24)22(18(26)21-19)13-5-8-15(25-4)9-6-13/h5-11,23-24H,12H2,1-4H3,(H,21,26)/t20-/m0/s1.
What are the key properties of (6S)-6-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)-4,4,6-trimethyl-1,3-diazinane-2-thione?
(6S)-6-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)-4,4,6-trimethyl-1,3-diazinane-2-thione has a molecular weight of 372.49 g/mol, XLogP of 3.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)-4,4,6-trimethyl-1,3-diazinane-2-thione is sourced from PubChem (CID 7092649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).