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

C22H17Cl2N5O3S — CID 1193181

IUPAC2-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
SMILESCc1ccc(NC(=O)c2c(C(=O)Nc3cc(Cl)cc(Cl)c3)sc3nc(=O)c(C)nn23)cc1C
InChIInChI=1S/C22H17Cl2N5O3S/c1-10-4-5-15(6-11(10)2)25-20(31)17-18(33-22-27-19(30)12(3)28-29(17)22)21(32)26-16-8-13(23)7-14(24)9-16/h4-9H,1-3H3,(H,25,31)(H,26,32)
InChIKeySHGQYHMCVNIUNY-UHFFFAOYSA-N
MW502.38 g/mol
LogP4.89
Rot. Bonds4

About 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

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 (PubChem CID 1193181) has the molecular formula C22H17Cl2N5O3S and a molecular weight of 502.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID1193181
Molecular FormulaC22H17Cl2N5O3S
Molecular Weight502.38 g/mol
Exact Mass501.04
IUPAC Name2-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
SMILESCc1ccc(NC(=O)c2c(C(=O)Nc3cc(Cl)cc(Cl)c3)sc3nc(=O)c(C)nn23)cc1C
InChIInChI=1S/C22H17Cl2N5O3S/c1-10-4-5-15(6-11(10)2)25-20(31)17-18(33-22-27-19(30)12(3)28-29(17)22)21(32)26-16-8-13(23)7-14(24)9-16/h4-9H,1-3H3,(H,25,31)(H,26,32)
InChIKeySHGQYHMCVNIUNY-UHFFFAOYSA-N
XLogP4.89
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.38
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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
5-chloro-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 680133
methyl 4-[[2-[(3,5-dichlorophenyl)carbamoyl]-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino]benzoate
CID 1426173
2-N-(4-chlorophenyl)-7-methyl-3-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
CID 2241925
N-(3,4-dimethylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134294
ethyl 3-[[2-[(3,5-dichlorophenyl)carbamoyl]-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino]benzoate
CID 1426159
6-N-(3,4-difluorophenyl)-2-N-(3,4-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109100456
methyl 4-[[3-[(3-chloro-4-methylphenyl)carbamoyl]-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carbonyl]amino]benzoate
CID 1426191
6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 103874038
N-(3,5-dichlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110864252
7-methyl-3-N-(4-methylphenyl)-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
CID 1426222

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(NC(=O)c2c(C(=O)Nc3cc(Cl)cc(Cl)c3)sc3nc(=O)c(C)nn23)cc1C.
What is the InChIKey of 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?
The InChIKey is SHGQYHMCVNIUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N5O3S/c1-10-4-5-15(6-11(10)2)25-20(31)17-18(33-22-27-19(30)12(3)28-29(17)22)21(32)26-16-8-13(23)7-14(24)9-16/h4-9H,1-3H3,(H,25,31)(H,26,32).
What are the key properties of 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?
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 has a molecular weight of 502.38 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 1193181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).