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

C22H20N4O4S — CID 3734426

IUPAC7-(5-ethoxy-2-oxo-1H-indol-3-ylidene)-3-(4-methoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCCOc1ccc2c(c1)C(=c1sc3n(c1=O)CN(c1ccc(OC)cc1)CN=3)C(=O)N2
InChIInChI=1S/C22H20N4O4S/c1-3-30-15-8-9-17-16(10-15)18(20(27)24-17)19-21(28)26-12-25(11-23-22(26)31-19)13-4-6-14(29-2)7-5-13/h4-10H,3,11-12H2,1-2H3,(H,24,27)
InChIKeyCVLITVAJOYVJGE-UHFFFAOYSA-N
MW436.49 g/mol
LogP1.52
Rot. Bonds4

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

7-(5-ethoxy-2-oxo-1H-indol-3-ylidene)-3-(4-methoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (PubChem CID 3734426) has the molecular formula C22H20N4O4S and a molecular weight of 436.49 g/mol. Its IUPAC name is 7-(5-ethoxy-2-oxo-1H-indol-3-ylidene)-3-(4-methoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name7-(5-ethoxy-2-oxo-1H-indol-3-ylidene)-3-(4-methoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
PubChem CID3734426
Molecular FormulaC22H20N4O4S
Molecular Weight436.49 g/mol
Exact Mass436.12
IUPAC Name7-(5-ethoxy-2-oxo-1H-indol-3-ylidene)-3-(4-methoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCCOc1ccc2c(c1)C(=c1sc3n(c1=O)CN(c1ccc(OC)cc1)CN=3)C(=O)N2
InChIInChI=1S/C22H20N4O4S/c1-3-30-15-8-9-17-16(10-15)18(20(27)24-17)19-21(28)26-12-25(11-23-22(26)31-19)13-4-6-14(29-2)7-5-13/h4-10H,3,11-12H2,1-2H3,(H,24,27)
InChIKeyCVLITVAJOYVJGE-UHFFFAOYSA-N
XLogP1.52
TPSA85.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 7-(5-ethoxy-2-oxo-1H-indol-3-ylidene)-3-(4-methoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(5-ethoxy-2-oxo-1H-indol-3-ylidene)-3-(4-methoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The IUPAC name of 7-(5-ethoxy-2-oxo-1H-indol-3-ylidene)-3-(4-methoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (CID 3734426) is 7-(5-ethoxy-2-oxo-1H-indol-3-ylidene)-3-(4-methoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for 7-(5-ethoxy-2-oxo-1H-indol-3-ylidene)-3-(4-methoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 7-(5-ethoxy-2-oxo-1H-indol-3-ylidene)-3-(4-methoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is CCOc1ccc2c(c1)C(=c1sc3n(c1=O)CN(c1ccc(OC)cc1)CN=3)C(=O)N2.
What is the InChIKey of 7-(5-ethoxy-2-oxo-1H-indol-3-ylidene)-3-(4-methoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The InChIKey is CVLITVAJOYVJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S/c1-3-30-15-8-9-17-16(10-15)18(20(27)24-17)19-21(28)26-12-25(11-23-22(26)31-19)13-4-6-14(29-2)7-5-13/h4-10H,3,11-12H2,1-2H3,(H,24,27).
What are the key properties of 7-(5-ethoxy-2-oxo-1H-indol-3-ylidene)-3-(4-methoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
7-(5-ethoxy-2-oxo-1H-indol-3-ylidene)-3-(4-methoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one has a molecular weight of 436.49 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-ethoxy-2-oxo-1H-indol-3-ylidene)-3-(4-methoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 3734426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).