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

C21H16FN5O3S — CID 1193185

IUPAC3-N-(4-fluorophenyl)-6-methyl-2-N-(4-methylphenyl)-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2,3-dicarboxamide
SMILESCc1ccc(NC(=O)c2sc3nc(=O)c(C)nn3c2C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C21H16FN5O3S/c1-11-3-7-14(8-4-11)24-20(30)17-16(19(29)23-15-9-5-13(22)6-10-15)27-21(31-17)25-18(28)12(2)26-27/h3-10H,1-2H3,(H,23,29)(H,24,30)
InChIKeyYOJZYEPPODXKFX-UHFFFAOYSA-N
MW437.46 g/mol
LogP3.41
Rot. Bonds4

About 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

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 (PubChem CID 1193185) has the molecular formula C21H16FN5O3S and a molecular weight of 437.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-N-(4-fluorophenyl)-6-methyl-2-N-(4-methylphenyl)-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2,3-dicarboxamide
PubChem CID1193185
Molecular FormulaC21H16FN5O3S
Molecular Weight437.46 g/mol
Exact Mass437.10
IUPAC Name3-N-(4-fluorophenyl)-6-methyl-2-N-(4-methylphenyl)-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2,3-dicarboxamide
SMILESCc1ccc(NC(=O)c2sc3nc(=O)c(C)nn3c2C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C21H16FN5O3S/c1-11-3-7-14(8-4-11)24-20(30)17-16(19(29)23-15-9-5-13(22)6-10-15)27-21(31-17)25-18(28)12(2)26-27/h3-10H,1-2H3,(H,23,29)(H,24,30)
InChIKeyYOJZYEPPODXKFX-UHFFFAOYSA-N
XLogP3.41
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 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
7-methyl-3-N-(4-methylphenyl)-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
CID 1426222
5-chloro-N-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 18292119
N-[4-(carbamoylamino)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 33153477
N-(4-fluorophenyl)acetamide;N-(4-methylphenyl)acetamide
CID 158705281
2-N-(4-chlorophenyl)-7-methyl-3-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
CID 2241925
4-N-(4-fluorophenyl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091349
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 26845085
N-(4-acetamidophenyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 8701464
N-(4-fluorophenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387143
1,3-bis(4-fluorophenyl)-N-(4-methylphenyl)pyrazole-5-carboxamide
CID 4638093
4-amino-2-[ethyl(methyl)amino]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116668817

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(NC(=O)c2sc3nc(=O)c(C)nn3c2C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is YOJZYEPPODXKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O3S/c1-11-3-7-14(8-4-11)24-20(30)17-16(19(29)23-15-9-5-13(22)6-10-15)27-21(31-17)25-18(28)12(2)26-27/h3-10H,1-2H3,(H,23,29)(H,24,30).
What are the key properties of 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?
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 has a molecular weight of 437.46 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 1193185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).