3-N-(4-chloro-2-methylphenyl)-2-N-(3,5-dichlorophenyl)-6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2,3-dicarboxamide

C21H14Cl3N5O3S — CID 1184190

IUPAC3-N-(4-chloro-2-methylphenyl)-2-N-(3,5-dichlorophenyl)-6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2,3-dicarboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1c(C(=O)Nc2cc(Cl)cc(Cl)c2)sc2nc(=O)c(C)nn12
InChIInChI=1S/C21H14Cl3N5O3S/c1-9-5-11(22)3-4-15(9)26-19(31)16-17(33-21-27-18(30)10(2)28-29(16)21)20(32)25-14-7-12(23)6-13(24)8-14/h3-8H,1-2H3,(H,25,32)(H,26,31)
InChIKeyIBIHMCLYEIESPK-UHFFFAOYSA-N
MW522.80 g/mol
LogP5.23
Rot. Bonds4

About 3-N-(4-chloro-2-methylphenyl)-2-N-(3,5-dichlorophenyl)-6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2,3-dicarboxamide

3-N-(4-chloro-2-methylphenyl)-2-N-(3,5-dichlorophenyl)-6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2,3-dicarboxamide (PubChem CID 1184190) has the molecular formula C21H14Cl3N5O3S and a molecular weight of 522.80 g/mol. Its IUPAC name is 3-N-(4-chloro-2-methylphenyl)-2-N-(3,5-dichlorophenyl)-6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-chloro-2-methylphenyl)-2-N-(3,5-dichlorophenyl)-6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2,3-dicarboxamide
PubChem CID1184190
Molecular FormulaC21H14Cl3N5O3S
Molecular Weight522.80 g/mol
Exact Mass520.99
IUPAC Name3-N-(4-chloro-2-methylphenyl)-2-N-(3,5-dichlorophenyl)-6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2,3-dicarboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1c(C(=O)Nc2cc(Cl)cc(Cl)c2)sc2nc(=O)c(C)nn12
InChIInChI=1S/C21H14Cl3N5O3S/c1-9-5-11(22)3-4-15(9)26-19(31)16-17(33-21-27-18(30)10(2)28-29(16)21)20(32)25-14-7-12(23)6-13(24)8-14/h3-8H,1-2H3,(H,25,32)(H,26,31)
InChIKeyIBIHMCLYEIESPK-UHFFFAOYSA-N
XLogP5.23
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.80
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-N-(4-chloro-2-methylphenyl)-2-N-(3,5-dichlorophenyl)-6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2,3-dicarboxamide with MolForge

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Related Compounds

2-N-(3,5-dichlorophenyl)-3-N-(3,4-dimethylphenyl)-6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2,3-dicarboxamide
CID 1193181
3-N-(4-fluorophenyl)-6-methyl-2-N-(4-methylphenyl)-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2,3-dicarboxamide
CID 1193185
6-N-(4-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100888
5-chloro-N-(4-chloro-2-methylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 26114612
N-(4-chloro-2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384693
N-(4-chloro-2-methylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326110
5-chloro-N-(4-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 17432904
2-N-(4-chlorophenyl)-7-methyl-3-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
CID 2241925
6-[(4-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453126
ethyl 3-[[2-[(3,5-dichlorophenyl)carbamoyl]-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino]benzoate
CID 1426159
2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 16897465
methyl 4-[[2-[(3,5-dichlorophenyl)carbamoyl]-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino]benzoate
CID 1426173

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-chloro-2-methylphenyl)-2-N-(3,5-dichlorophenyl)-6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2,3-dicarboxamide?
The IUPAC name of 3-N-(4-chloro-2-methylphenyl)-2-N-(3,5-dichlorophenyl)-6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2,3-dicarboxamide (CID 1184190) is 3-N-(4-chloro-2-methylphenyl)-2-N-(3,5-dichlorophenyl)-6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2,3-dicarboxamide.
What is the SMILES notation for 3-N-(4-chloro-2-methylphenyl)-2-N-(3,5-dichlorophenyl)-6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2,3-dicarboxamide?
The canonical SMILES for 3-N-(4-chloro-2-methylphenyl)-2-N-(3,5-dichlorophenyl)-6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2,3-dicarboxamide is Cc1cc(Cl)ccc1NC(=O)c1c(C(=O)Nc2cc(Cl)cc(Cl)c2)sc2nc(=O)c(C)nn12.
What is the InChIKey of 3-N-(4-chloro-2-methylphenyl)-2-N-(3,5-dichlorophenyl)-6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2,3-dicarboxamide?
The InChIKey is IBIHMCLYEIESPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl3N5O3S/c1-9-5-11(22)3-4-15(9)26-19(31)16-17(33-21-27-18(30)10(2)28-29(16)21)20(32)25-14-7-12(23)6-13(24)8-14/h3-8H,1-2H3,(H,25,32)(H,26,31).
What are the key properties of 3-N-(4-chloro-2-methylphenyl)-2-N-(3,5-dichlorophenyl)-6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2,3-dicarboxamide?
3-N-(4-chloro-2-methylphenyl)-2-N-(3,5-dichlorophenyl)-6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2,3-dicarboxamide has a molecular weight of 522.80 g/mol, XLogP of 5.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-chloro-2-methylphenyl)-2-N-(3,5-dichlorophenyl)-6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2,3-dicarboxamide is sourced from PubChem (CID 1184190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).