(2Z)-7-methyl-6-(methylperoxymethyl)-5-phenyl-2-[(3,4,5-trimethoxyphenyl)hydrazinylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

C24H26N4O6S — CID 172877397

IUPAC(2Z)-7-methyl-6-(methylperoxymethyl)-5-phenyl-2-[(3,4,5-trimethoxyphenyl)hydrazinylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESCOOCC1=C(C)N=C2S/C(=N\Nc3cc(OC)c(OC)c(OC)c3)C(=O)N2C1c1ccccc1
InChIInChI=1S/C24H26N4O6S/c1-14-17(13-34-33-5)20(15-9-7-6-8-10-15)28-23(29)22(35-24(28)25-14)27-26-16-11-18(30-2)21(32-4)19(12-16)31-3/h6-12,20,26H,13H2,1-5H3/b27-22-
InChIKeyUZHXZRHKBVMKTJ-QYQHSDTDSA-N
MW498.56 g/mol
LogP3.98
Rot. Bonds9

About (2Z)-7-methyl-6-(methylperoxymethyl)-5-phenyl-2-[(3,4,5-trimethoxyphenyl)hydrazinylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

(2Z)-7-methyl-6-(methylperoxymethyl)-5-phenyl-2-[(3,4,5-trimethoxyphenyl)hydrazinylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (PubChem CID 172877397) has the molecular formula C24H26N4O6S and a molecular weight of 498.56 g/mol. Its IUPAC name is (2Z)-7-methyl-6-(methylperoxymethyl)-5-phenyl-2-[(3,4,5-trimethoxyphenyl)hydrazinylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.

Molecular Properties

Compound Name(2Z)-7-methyl-6-(methylperoxymethyl)-5-phenyl-2-[(3,4,5-trimethoxyphenyl)hydrazinylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
PubChem CID172877397
Molecular FormulaC24H26N4O6S
Molecular Weight498.56 g/mol
Exact Mass498.16
IUPAC Name(2Z)-7-methyl-6-(methylperoxymethyl)-5-phenyl-2-[(3,4,5-trimethoxyphenyl)hydrazinylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESCOOCC1=C(C)N=C2S/C(=N\Nc3cc(OC)c(OC)c(OC)c3)C(=O)N2C1c1ccccc1
InChIInChI=1S/C24H26N4O6S/c1-14-17(13-34-33-5)20(15-9-7-6-8-10-15)28-23(29)22(35-24(28)25-14)27-26-16-11-18(30-2)21(32-4)19(12-16)31-3/h6-12,20,26H,13H2,1-5H3/b27-22-
InChIKeyUZHXZRHKBVMKTJ-QYQHSDTDSA-N
XLogP3.98
TPSA103.21 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.56
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze (2Z)-7-methyl-6-(methylperoxymethyl)-5-phenyl-2-[(3,4,5-trimethoxyphenyl)hydrazinylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one with MolForge

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

Launch Full Analysis

Related Compounds

methyl (2Z)-2-[(3-methoxycarbonylphenyl)hydrazinylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 172877166
1-(2-methylpropyl)-3-phenyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
CID 110559954
(4S)-3-methylidene-4-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 131974451
ethyl 7-methyl-3-oxo-5-(3,4,5-trimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 5156446
3,4-diphenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]pyrrole-2,5-dione
CID 141397575
methyl 3-amino-2-cyano-7-methyl-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3163351
ethyl (2S,5S)-7-methyl-3-oxo-2,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 51857790
methyl (2E)-2-benzylidene-7-methyl-3-oxo-5-(3,4,5-trimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 11840695
7-O-ethyl 2-O-methyl (6S)-6-(3-methoxyphenyl)-8-methyl-4-oxo-6H-pyrimido[2,1-b][1,3]thiazine-2,7-dicarboxylate
CID 1301747
methyl (2R,5R)-2-ethyl-5-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2142545
methyl 2-[(4S)-6-bromo-4-phenyl-2-(3,4,5-trimethoxyphenyl)-4H-quinazolin-3-yl]acetate
CID 2135935
(2E)-5-(4-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 21170617

Frequently Asked Questions

What is the IUPAC name of (2Z)-7-methyl-6-(methylperoxymethyl)-5-phenyl-2-[(3,4,5-trimethoxyphenyl)hydrazinylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The IUPAC name of (2Z)-7-methyl-6-(methylperoxymethyl)-5-phenyl-2-[(3,4,5-trimethoxyphenyl)hydrazinylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (CID 172877397) is (2Z)-7-methyl-6-(methylperoxymethyl)-5-phenyl-2-[(3,4,5-trimethoxyphenyl)hydrazinylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.
What is the SMILES notation for (2Z)-7-methyl-6-(methylperoxymethyl)-5-phenyl-2-[(3,4,5-trimethoxyphenyl)hydrazinylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The canonical SMILES for (2Z)-7-methyl-6-(methylperoxymethyl)-5-phenyl-2-[(3,4,5-trimethoxyphenyl)hydrazinylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is COOCC1=C(C)N=C2S/C(=N\Nc3cc(OC)c(OC)c(OC)c3)C(=O)N2C1c1ccccc1.
What is the InChIKey of (2Z)-7-methyl-6-(methylperoxymethyl)-5-phenyl-2-[(3,4,5-trimethoxyphenyl)hydrazinylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The InChIKey is UZHXZRHKBVMKTJ-QYQHSDTDSA-N. The full InChI is InChI=1S/C24H26N4O6S/c1-14-17(13-34-33-5)20(15-9-7-6-8-10-15)28-23(29)22(35-24(28)25-14)27-26-16-11-18(30-2)21(32-4)19(12-16)31-3/h6-12,20,26H,13H2,1-5H3/b27-22-.
What are the key properties of (2Z)-7-methyl-6-(methylperoxymethyl)-5-phenyl-2-[(3,4,5-trimethoxyphenyl)hydrazinylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
(2Z)-7-methyl-6-(methylperoxymethyl)-5-phenyl-2-[(3,4,5-trimethoxyphenyl)hydrazinylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one has a molecular weight of 498.56 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-7-methyl-6-(methylperoxymethyl)-5-phenyl-2-[(3,4,5-trimethoxyphenyl)hydrazinylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is sourced from PubChem (CID 172877397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).