(9E)-5-(3,4-dimethoxyphenyl)-9-[(3,4-dimethoxyphenyl)methylidene]-3-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline

C28H30N2O4S — CID 56969249

IUPAC(9E)-5-(3,4-dimethoxyphenyl)-9-[(3,4-dimethoxyphenyl)methylidene]-3-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
SMILESCOc1ccc(/C=C2\CCCC3=C2N=C2SC=C(C)N2C3c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C28H30N2O4S/c1-17-16-35-28-29-26-19(13-18-9-11-22(31-2)24(14-18)33-4)7-6-8-21(26)27(30(17)28)20-10-12-23(32-3)25(15-20)34-5/h9-16,27H,6-8H2,1-5H3/b19-13+
InChIKeyGUEUIIMQLVGAFT-CPNJWEJPSA-N
MW490.63 g/mol
LogP6.56
Rot. Bonds6

About (9E)-5-(3,4-dimethoxyphenyl)-9-[(3,4-dimethoxyphenyl)methylidene]-3-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline

(9E)-5-(3,4-dimethoxyphenyl)-9-[(3,4-dimethoxyphenyl)methylidene]-3-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline (PubChem CID 56969249) has the molecular formula C28H30N2O4S and a molecular weight of 490.63 g/mol. Its IUPAC name is (9E)-5-(3,4-dimethoxyphenyl)-9-[(3,4-dimethoxyphenyl)methylidene]-3-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline.

Molecular Properties

Compound Name(9E)-5-(3,4-dimethoxyphenyl)-9-[(3,4-dimethoxyphenyl)methylidene]-3-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
PubChem CID56969249
Molecular FormulaC28H30N2O4S
Molecular Weight490.63 g/mol
Exact Mass490.19
IUPAC Name(9E)-5-(3,4-dimethoxyphenyl)-9-[(3,4-dimethoxyphenyl)methylidene]-3-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
SMILESCOc1ccc(/C=C2\CCCC3=C2N=C2SC=C(C)N2C3c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C28H30N2O4S/c1-17-16-35-28-29-26-19(13-18-9-11-22(31-2)24(14-18)33-4)7-6-8-21(26)27(30(17)28)20-10-12-23(32-3)25(15-20)34-5/h9-16,27H,6-8H2,1-5H3/b19-13+
InChIKeyGUEUIIMQLVGAFT-CPNJWEJPSA-N
XLogP6.56
TPSA52.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.63
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (9E)-5-(3,4-dimethoxyphenyl)-9-[(3,4-dimethoxyphenyl)methylidene]-3-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline with MolForge

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Related Compounds

3-(3,4-Dimethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
CID 23724178
7-(3,4-dimethoxyphenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
CID 661176
7-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2407054
(2Z)-3-benzyl-2-{[2-(3,4-dimethoxyphenyl)ethyl]imino}-1,3-thiazolidin-4-one
CID 6620582
2-methyl-5-(3,4,5-trimethoxyphenyl)-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine
CID 162643613
3-(3,4-Dimethoxyphenethyl)-2-[(4-methoxyphenyl)imino]-1,3-thiazolan-4-one
CID 596384
7-(4-Methoxyphenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
CID 620536
(9E)-5-(3,4,5-trimethoxyphenyl)-9-[(3,4,5-trimethoxyphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
CID 56969250
(13E)-11-ethyl-8-(4-methoxyphenyl)-13-[(4-methoxyphenyl)methylidene]-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene
CID 56969696
(13E)-8-(3,4-dimethoxyphenyl)-13-[(3,4-dimethoxyphenyl)methylidene]-11-ethyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene
CID 56969698
(13E)-8-(3,4-dimethoxyphenyl)-13-[(3,4-dimethoxyphenyl)methylidene]-11-ethyl-6-methyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene
CID 56969699
3-cyclopentyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)-1,3-thiazol-2-imine
CID 2486996

Frequently Asked Questions

What is the IUPAC name of (9E)-5-(3,4-dimethoxyphenyl)-9-[(3,4-dimethoxyphenyl)methylidene]-3-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline?
The IUPAC name of (9E)-5-(3,4-dimethoxyphenyl)-9-[(3,4-dimethoxyphenyl)methylidene]-3-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline (CID 56969249) is (9E)-5-(3,4-dimethoxyphenyl)-9-[(3,4-dimethoxyphenyl)methylidene]-3-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline.
What is the SMILES notation for (9E)-5-(3,4-dimethoxyphenyl)-9-[(3,4-dimethoxyphenyl)methylidene]-3-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline?
The canonical SMILES for (9E)-5-(3,4-dimethoxyphenyl)-9-[(3,4-dimethoxyphenyl)methylidene]-3-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline is COc1ccc(/C=C2\CCCC3=C2N=C2SC=C(C)N2C3c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of (9E)-5-(3,4-dimethoxyphenyl)-9-[(3,4-dimethoxyphenyl)methylidene]-3-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline?
The InChIKey is GUEUIIMQLVGAFT-CPNJWEJPSA-N. The full InChI is InChI=1S/C28H30N2O4S/c1-17-16-35-28-29-26-19(13-18-9-11-22(31-2)24(14-18)33-4)7-6-8-21(26)27(30(17)28)20-10-12-23(32-3)25(15-20)34-5/h9-16,27H,6-8H2,1-5H3/b19-13+.
What are the key properties of (9E)-5-(3,4-dimethoxyphenyl)-9-[(3,4-dimethoxyphenyl)methylidene]-3-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline?
(9E)-5-(3,4-dimethoxyphenyl)-9-[(3,4-dimethoxyphenyl)methylidene]-3-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline has a molecular weight of 490.63 g/mol, XLogP of 6.56, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-5-(3,4-dimethoxyphenyl)-9-[(3,4-dimethoxyphenyl)methylidene]-3-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline is sourced from PubChem (CID 56969249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).