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

C22H20N4O2S — CID 6523711

IUPAC(7Z)-3-(3,5-dimethylphenyl)-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCc1cc(C)cc(N2CN=c3s/c(=C4\C(=O)Nc5ccc(C)cc54)c(=O)n3C2)c1
InChIInChI=1S/C22H20N4O2S/c1-12-4-5-17-16(9-12)18(20(27)24-17)19-21(28)26-11-25(10-23-22(26)29-19)15-7-13(2)6-14(3)8-15/h4-9H,10-11H2,1-3H3,(H,24,27)/b19-18-
InChIKeyCYDPGOVFEBQUFV-HNENSFHCSA-N
MW404.50 g/mol
LogP2.04
Rot. Bonds1

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

(7Z)-3-(3,5-dimethylphenyl)-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (PubChem CID 6523711) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is (7Z)-3-(3,5-dimethylphenyl)-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name(7Z)-3-(3,5-dimethylphenyl)-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
PubChem CID6523711
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC Name(7Z)-3-(3,5-dimethylphenyl)-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCc1cc(C)cc(N2CN=c3s/c(=C4\C(=O)Nc5ccc(C)cc54)c(=O)n3C2)c1
InChIInChI=1S/C22H20N4O2S/c1-12-4-5-17-16(9-12)18(20(27)24-17)19-21(28)26-11-25(10-23-22(26)29-19)15-7-13(2)6-14(3)8-15/h4-9H,10-11H2,1-3H3,(H,24,27)/b19-18-
InChIKeyCYDPGOVFEBQUFV-HNENSFHCSA-N
XLogP2.04
TPSA66.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

(7Z)-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-3-(3-nitrophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 1422544
7-(5-methoxy-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 3734807
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
(7E)-7-(5-fluoro-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 2037758
3-(3,4-dimethylphenyl)-7-(5-ethoxy-2-oxo-1H-indol-3-ylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 3803278
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
3-(3-chloro-4-methylphenyl)-7-(5-ethoxy-2-oxo-1H-indol-3-ylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 3799561
3-(4-bromophenyl)-7-(2-oxo-1H-indol-3-ylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 5168621
7-(2-oxo-1H-indol-3-ylidene)-3-[3-(trifluoromethyl)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 3693161
2-(5-bromo-2-oxo-1H-indol-3-ylidene)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
CID 3872138
7-[(3-bromophenyl)methylidene]-3-(3,5-dimethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 3563401
2-(2-oxo-1H-indol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 600448

Frequently Asked Questions

What is the IUPAC name of (7Z)-3-(3,5-dimethylphenyl)-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The IUPAC name of (7Z)-3-(3,5-dimethylphenyl)-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (CID 6523711) is (7Z)-3-(3,5-dimethylphenyl)-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for (7Z)-3-(3,5-dimethylphenyl)-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The canonical SMILES for (7Z)-3-(3,5-dimethylphenyl)-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is Cc1cc(C)cc(N2CN=c3s/c(=C4\C(=O)Nc5ccc(C)cc54)c(=O)n3C2)c1.
What is the InChIKey of (7Z)-3-(3,5-dimethylphenyl)-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The InChIKey is CYDPGOVFEBQUFV-HNENSFHCSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-12-4-5-17-16(9-12)18(20(27)24-17)19-21(28)26-11-25(10-23-22(26)29-19)15-7-13(2)6-14(3)8-15/h4-9H,10-11H2,1-3H3,(H,24,27)/b19-18-.
What are the key properties of (7Z)-3-(3,5-dimethylphenyl)-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
(7Z)-3-(3,5-dimethylphenyl)-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one has a molecular weight of 404.50 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-3-(3,5-dimethylphenyl)-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 6523711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).