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

C21H16Cl2N4O2S — CID 141454185

IUPACN-[(2-chlorophenyl)methyl]-2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide
SMILESO=C(Cc1csc2nc(=O)c(Cc3ccccc3Cl)nn12)NCc1ccccc1Cl
InChIInChI=1S/C21H16Cl2N4O2S/c22-16-7-3-1-5-13(16)9-18-20(29)25-21-27(26-18)15(12-30-21)10-19(28)24-11-14-6-2-4-8-17(14)23/h1-8,12H,9-11H2,(H,24,28)
InChIKeyOCXUWEGECVNQNE-UHFFFAOYSA-N
MW459.36 g/mol
LogP3.91
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide (PubChem CID 141454185) has the molecular formula C21H16Cl2N4O2S and a molecular weight of 459.36 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide
PubChem CID141454185
Molecular FormulaC21H16Cl2N4O2S
Molecular Weight459.36 g/mol
Exact Mass458.04
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide
SMILESO=C(Cc1csc2nc(=O)c(Cc3ccccc3Cl)nn12)NCc1ccccc1Cl
InChIInChI=1S/C21H16Cl2N4O2S/c22-16-7-3-1-5-13(16)9-18-20(29)25-21-27(26-18)15(12-30-21)10-19(28)24-11-14-6-2-4-8-17(14)23/h1-8,12H,9-11H2,(H,24,28)
InChIKeyOCXUWEGECVNQNE-UHFFFAOYSA-N
XLogP3.91
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(Benzylcarbamoyl)methyl]-5-(4-chlorophenyl)-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxamide
CID 46000029
5-(4-Chlorophenyl)-N,N,7-trimethyl-3-{[(1-phenylethyl)carbamoyl]methyl}-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxamide
CID 46000032
5-(4-chlorophenyl)-3-[2-(ethylamino)-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46148379
N-[(2-chlorophenyl)methyl]-2-[(2-oxo-3-phenyl-[1,2,4]triazino[2,3-c]quinazolin-6-yl)sulfanyl]acetamide
CID 47082779
2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 141454199
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-[(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
6-(4-Chlorobenzyl)-3-(4-chlorophenyl)-7h-thiazolo[3,2-b][1,2,4]triazin-7-one
CID 73056625
6-Benzyl-3-(4-chlorophenyl)-7h-thiazolo[3,2-b][1,2,4]triazin-7-one
CID 129840852

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide?
The IUPAC name of 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) is N-[(2-chlorophenyl)methyl]-2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide is O=C(Cc1csc2nc(=O)c(Cc3ccccc3Cl)nn12)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide?
The InChIKey is OCXUWEGECVNQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N4O2S/c22-16-7-3-1-5-13(16)9-18-20(29)25-21-27(26-18)15(12-30-21)10-19(28)24-11-14-6-2-4-8-17(14)23/h1-8,12H,9-11H2,(H,24,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide has a molecular weight of 459.36 g/mol, XLogP of 3.91, 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-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]acetamide is sourced from PubChem (CID 141454185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).