N-[(2,4-dichlorophenyl)methyl]-2-[7-oxo-6-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide

C22H15Cl2F3N4O2S — CID 141454257

IUPACN-[(2,4-dichlorophenyl)methyl]-2-[7-oxo-6-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide
SMILESO=C(Cc1csc2nc(=O)c(Cc3ccc(C(F)(F)F)cc3)nn12)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H15Cl2F3N4O2S/c23-15-6-3-13(17(24)8-15)10-28-19(32)9-16-11-34-21-29-20(33)18(30-31(16)21)7-12-1-4-14(5-2-12)22(25,26)27/h1-6,8,11H,7,9-10H2,(H,28,32)
InChIKeyDGONEURSSHJPHK-UHFFFAOYSA-N
MW527.36 g/mol
LogP4.93
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-2-[7-oxo-6-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide

N-[(2,4-dichlorophenyl)methyl]-2-[7-oxo-6-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide (PubChem CID 141454257) has the molecular formula C22H15Cl2F3N4O2S and a molecular weight of 527.36 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-[7-oxo-6-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-[7-oxo-6-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide
PubChem CID141454257
Molecular FormulaC22H15Cl2F3N4O2S
Molecular Weight527.36 g/mol
Exact Mass526.02
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-[7-oxo-6-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide
SMILESO=C(Cc1csc2nc(=O)c(Cc3ccc(C(F)(F)F)cc3)nn12)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H15Cl2F3N4O2S/c23-15-6-3-13(17(24)8-15)10-28-19(32)9-16-11-34-21-29-20(33)18(30-31(16)21)7-12-1-4-14(5-2-12)22(25,26)27/h1-6,8,11H,7,9-10H2,(H,28,32)
InChIKeyDGONEURSSHJPHK-UHFFFAOYSA-N
XLogP4.93
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.36
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-[7-oxo-6-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide
CID 141454225
2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 141454227
N-[(4-methylphenyl)methyl]-2-[7-oxo-6-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide
CID 141454262
6-[(2-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide
CID 141534025
N,6-bis[(2-chlorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide
CID 141443700
N-[(2-chlorophenyl)methyl]-2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide
CID 141454185
2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 141454191
2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 141454203
2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 141454206
2-[6-[(4-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 141454211
N-butyl-2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide
CID 141454242
6-[(2-chlorophenyl)methyl]-N-[(2,4-dichlorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide
CID 141534017

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[7-oxo-6-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[7-oxo-6-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide (CID 141454257) is N-[(2,4-dichlorophenyl)methyl]-2-[7-oxo-6-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-[7-oxo-6-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-[7-oxo-6-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide is O=C(Cc1csc2nc(=O)c(Cc3ccc(C(F)(F)F)cc3)nn12)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-[7-oxo-6-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide?
The InChIKey is DGONEURSSHJPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2F3N4O2S/c23-15-6-3-13(17(24)8-15)10-28-19(32)9-16-11-34-21-29-20(33)18(30-31(16)21)7-12-1-4-14(5-2-12)22(25,26)27/h1-6,8,11H,7,9-10H2,(H,28,32).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-[7-oxo-6-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide?
N-[(2,4-dichlorophenyl)methyl]-2-[7-oxo-6-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide has a molecular weight of 527.36 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-[7-oxo-6-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide is sourced from PubChem (CID 141454257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).