2-(4-chlorobenzoyl)-3-ethyl-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one

C21H16ClN3O3S — CID 34883505

IUPAC2-(4-chlorobenzoyl)-3-ethyl-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
SMILESCCc1c(C(=O)c2ccc(Cl)cc2)sc2nc(=O)c(-c3ccc(OC)cc3)nn12
InChIInChI=1S/C21H16ClN3O3S/c1-3-16-19(18(26)13-4-8-14(22)9-5-13)29-21-23-20(27)17(24-25(16)21)12-6-10-15(28-2)11-7-12/h4-11H,3H2,1-2H3
InChIKeyJIIGISRLKDCREB-UHFFFAOYSA-N
MW425.90 g/mol
LogP4.27
Rot. Bonds5

About 2-(4-chlorobenzoyl)-3-ethyl-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one

2-(4-chlorobenzoyl)-3-ethyl-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one (PubChem CID 34883505) has the molecular formula C21H16ClN3O3S and a molecular weight of 425.90 g/mol. Its IUPAC name is 2-(4-chlorobenzoyl)-3-ethyl-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one.

Molecular Properties

Compound Name2-(4-chlorobenzoyl)-3-ethyl-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
PubChem CID34883505
Molecular FormulaC21H16ClN3O3S
Molecular Weight425.90 g/mol
Exact Mass425.06
IUPAC Name2-(4-chlorobenzoyl)-3-ethyl-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
SMILESCCc1c(C(=O)c2ccc(Cl)cc2)sc2nc(=O)c(-c3ccc(OC)cc3)nn12
InChIInChI=1S/C21H16ClN3O3S/c1-3-16-19(18(26)13-4-8-14(22)9-5-13)29-21-23-20(27)17(24-25(16)21)12-6-10-15(28-2)11-7-12/h4-11H,3H2,1-2H3
InChIKeyJIIGISRLKDCREB-UHFFFAOYSA-N
XLogP4.27
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.90
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(4-chlorobenzoyl)-3-ethyl-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-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

ethyl 4-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylate
CID 132531249
(4-chlorophenyl)-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)thiophen-2-yl]methanone
CID 10961144
(4-chlorophenyl)-[4-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]methanone
CID 170871696
2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid
CID 20542726
[2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-(4-chlorophenyl)methanone
CID 25265700
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methoxy-N-methylbenzamide
CID 18292471
1-(4-chlorophenyl)-2-[4-(4-methoxyphenyl)triazol-1-yl]ethanone
CID 53321268
N-[5-benzyl-4-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide
CID 135349193
1,5-bis(4-chlorophenyl)-3-[2-(4-methoxyphenyl)quinolin-3-yl]pentane-1,5-dione
CID 132563705
2-[2-(4-chlorophenyl)-5-(4-methoxybenzoyl)thiophen-3-yl]-N-[2-(diethylamino)ethyl]acetamide
CID 118222100
3-(4-methoxyphenyl)-1-methylpyrazole-4-carboxylic acid
CID 42281960
3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid
CID 91871979

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzoyl)-3-ethyl-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The IUPAC name of 2-(4-chlorobenzoyl)-3-ethyl-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one (CID 34883505) is 2-(4-chlorobenzoyl)-3-ethyl-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one.
What is the SMILES notation for 2-(4-chlorobenzoyl)-3-ethyl-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The canonical SMILES for 2-(4-chlorobenzoyl)-3-ethyl-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one is CCc1c(C(=O)c2ccc(Cl)cc2)sc2nc(=O)c(-c3ccc(OC)cc3)nn12.
What is the InChIKey of 2-(4-chlorobenzoyl)-3-ethyl-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The InChIKey is JIIGISRLKDCREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3S/c1-3-16-19(18(26)13-4-8-14(22)9-5-13)29-21-23-20(27)17(24-25(16)21)12-6-10-15(28-2)11-7-12/h4-11H,3H2,1-2H3.
What are the key properties of 2-(4-chlorobenzoyl)-3-ethyl-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
2-(4-chlorobenzoyl)-3-ethyl-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one has a molecular weight of 425.90 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzoyl)-3-ethyl-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one is sourced from PubChem (CID 34883505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).