7-(5-methoxy-2-oxo-1H-indol-3-ylidene)-3-(3,4,5-trimethoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

C23H22N4O6S — CID 3791431

IUPAC7-(5-methoxy-2-oxo-1H-indol-3-ylidene)-3-(3,4,5-trimethoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCOc1ccc2c(c1)C(=c1sc3n(c1=O)CN(c1cc(OC)c(OC)c(OC)c1)CN=3)C(=O)N2
InChIInChI=1S/C23H22N4O6S/c1-30-13-5-6-15-14(9-13)18(21(28)25-15)20-22(29)27-11-26(10-24-23(27)34-20)12-7-16(31-2)19(33-4)17(8-12)32-3/h5-9H,10-11H2,1-4H3,(H,25,28)
InChIKeyKMROPSNTEOJJFV-UHFFFAOYSA-N
MW482.52 g/mol
LogP1.15
Rot. Bonds5

About 7-(5-methoxy-2-oxo-1H-indol-3-ylidene)-3-(3,4,5-trimethoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

7-(5-methoxy-2-oxo-1H-indol-3-ylidene)-3-(3,4,5-trimethoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (PubChem CID 3791431) has the molecular formula C23H22N4O6S and a molecular weight of 482.52 g/mol. Its IUPAC name is 7-(5-methoxy-2-oxo-1H-indol-3-ylidene)-3-(3,4,5-trimethoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name7-(5-methoxy-2-oxo-1H-indol-3-ylidene)-3-(3,4,5-trimethoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
PubChem CID3791431
Molecular FormulaC23H22N4O6S
Molecular Weight482.52 g/mol
Exact Mass482.13
IUPAC Name7-(5-methoxy-2-oxo-1H-indol-3-ylidene)-3-(3,4,5-trimethoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCOc1ccc2c(c1)C(=c1sc3n(c1=O)CN(c1cc(OC)c(OC)c(OC)c1)CN=3)C(=O)N2
InChIInChI=1S/C23H22N4O6S/c1-30-13-5-6-15-14(9-13)18(21(28)25-15)20-22(29)27-11-26(10-24-23(27)34-20)12-7-16(31-2)19(33-4)17(8-12)32-3/h5-9H,10-11H2,1-4H3,(H,25,28)
InChIKeyKMROPSNTEOJJFV-UHFFFAOYSA-N
XLogP1.15
TPSA103.62 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(5-methoxy-2-oxo-1H-indol-3-ylidene)-3-(3,4,5-trimethoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The IUPAC name of 7-(5-methoxy-2-oxo-1H-indol-3-ylidene)-3-(3,4,5-trimethoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (CID 3791431) is 7-(5-methoxy-2-oxo-1H-indol-3-ylidene)-3-(3,4,5-trimethoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for 7-(5-methoxy-2-oxo-1H-indol-3-ylidene)-3-(3,4,5-trimethoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 7-(5-methoxy-2-oxo-1H-indol-3-ylidene)-3-(3,4,5-trimethoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is COc1ccc2c(c1)C(=c1sc3n(c1=O)CN(c1cc(OC)c(OC)c(OC)c1)CN=3)C(=O)N2.
What is the InChIKey of 7-(5-methoxy-2-oxo-1H-indol-3-ylidene)-3-(3,4,5-trimethoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The InChIKey is KMROPSNTEOJJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O6S/c1-30-13-5-6-15-14(9-13)18(21(28)25-15)20-22(29)27-11-26(10-24-23(27)34-20)12-7-16(31-2)19(33-4)17(8-12)32-3/h5-9H,10-11H2,1-4H3,(H,25,28).
What are the key properties of 7-(5-methoxy-2-oxo-1H-indol-3-ylidene)-3-(3,4,5-trimethoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
7-(5-methoxy-2-oxo-1H-indol-3-ylidene)-3-(3,4,5-trimethoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one has a molecular weight of 482.52 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methoxy-2-oxo-1H-indol-3-ylidene)-3-(3,4,5-trimethoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 3791431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).