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

C22H16ClF3N4O2S — CID 141454225

IUPACN-[(2-chlorophenyl)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)NCc1ccccc1Cl
InChIInChI=1S/C22H16ClF3N4O2S/c23-17-4-2-1-3-14(17)11-27-19(31)10-16-12-33-21-28-20(32)18(29-30(16)21)9-13-5-7-15(8-6-13)22(24,25)26/h1-8,12H,9-11H2,(H,27,31)
InChIKeyXVGXDAFERAYIGJ-UHFFFAOYSA-N
MW492.91 g/mol
LogP4.27
Rot. Bonds6

About 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

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 (PubChem CID 141454225) has the molecular formula C22H16ClF3N4O2S and a molecular weight of 492.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[7-oxo-6-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide
PubChem CID141454225
Molecular FormulaC22H16ClF3N4O2S
Molecular Weight492.91 g/mol
Exact Mass492.06
IUPAC NameN-[(2-chlorophenyl)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)NCc1ccccc1Cl
InChIInChI=1S/C22H16ClF3N4O2S/c23-17-4-2-1-3-14(17)11-27-19(31)10-16-12-33-21-28-20(32)18(29-30(16)21)9-13-5-7-15(8-6-13)22(24,25)26/h1-8,12H,9-11H2,(H,27,31)
InChIKeyXVGXDAFERAYIGJ-UHFFFAOYSA-N
XLogP4.27
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.91
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 141454199
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-[(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
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
5-(2-chlorophenyl)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 42830184
N-[(2-chlorophenyl)methyl]-2-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide
CID 141442386
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-[(4-methylphenyl)methyl]acetamide
CID 141454193
2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]-N-cyclopropylacetamide
CID 141454197

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(Cc1csc2nc(=O)c(Cc3ccc(C(F)(F)F)cc3)nn12)NCc1ccccc1Cl.
What is the InChIKey of 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?
The InChIKey is XVGXDAFERAYIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N4O2S/c23-17-4-2-1-3-14(17)11-27-19(31)10-16-12-33-21-28-20(32)18(29-30(16)21)9-13-5-7-15(8-6-13)22(24,25)26/h1-8,12H,9-11H2,(H,27,31).
What are the key properties of 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?
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 has a molecular weight of 492.91 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 141454225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).