1-benzyl-5-[(4-chlorophenyl)methyl]-2,2-dioxo-6-phenylimidazo[4,5-c][1,2,6]thiadiazin-4-amine

C24H20ClN5O2S — CID 46899281

IUPAC1-benzyl-5-[(4-chlorophenyl)methyl]-2,2-dioxo-6-phenylimidazo[4,5-c][1,2,6]thiadiazin-4-amine
SMILESNC1=NS(=O)(=O)N(Cc2ccccc2)c2nc(-c3ccccc3)n(Cc3ccc(Cl)cc3)c21
InChIInChI=1S/C24H20ClN5O2S/c25-20-13-11-18(12-14-20)15-29-21-22(26)28-33(31,32)30(16-17-7-3-1-4-8-17)24(21)27-23(29)19-9-5-2-6-10-19/h1-14H,15-16H2,(H2,26,28)
InChIKeyZJNKLKCOPLJWCO-UHFFFAOYSA-N
MW477.98 g/mol
LogP4.22
Rot. Bonds5

About 1-benzyl-5-[(4-chlorophenyl)methyl]-2,2-dioxo-6-phenylimidazo[4,5-c][1,2,6]thiadiazin-4-amine

1-benzyl-5-[(4-chlorophenyl)methyl]-2,2-dioxo-6-phenylimidazo[4,5-c][1,2,6]thiadiazin-4-amine (PubChem CID 46899281) has the molecular formula C24H20ClN5O2S and a molecular weight of 477.98 g/mol. Its IUPAC name is 1-benzyl-5-[(4-chlorophenyl)methyl]-2,2-dioxo-6-phenylimidazo[4,5-c][1,2,6]thiadiazin-4-amine.

Molecular Properties

Compound Name1-benzyl-5-[(4-chlorophenyl)methyl]-2,2-dioxo-6-phenylimidazo[4,5-c][1,2,6]thiadiazin-4-amine
PubChem CID46899281
Molecular FormulaC24H20ClN5O2S
Molecular Weight477.98 g/mol
Exact Mass477.10
IUPAC Name1-benzyl-5-[(4-chlorophenyl)methyl]-2,2-dioxo-6-phenylimidazo[4,5-c][1,2,6]thiadiazin-4-amine
SMILESNC1=NS(=O)(=O)N(Cc2ccccc2)c2nc(-c3ccccc3)n(Cc3ccc(Cl)cc3)c21
InChIInChI=1S/C24H20ClN5O2S/c25-20-13-11-18(12-14-20)15-29-21-22(26)28-33(31,32)30(16-17-7-3-1-4-8-17)24(21)27-23(29)19-9-5-2-6-10-19/h1-14H,15-16H2,(H2,26,28)
InChIKeyZJNKLKCOPLJWCO-UHFFFAOYSA-N
XLogP4.22
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.98
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[(4-chlorophenyl)methyl]-2,2-dioxo-6-phenylimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The IUPAC name of 1-benzyl-5-[(4-chlorophenyl)methyl]-2,2-dioxo-6-phenylimidazo[4,5-c][1,2,6]thiadiazin-4-amine (CID 46899281) is 1-benzyl-5-[(4-chlorophenyl)methyl]-2,2-dioxo-6-phenylimidazo[4,5-c][1,2,6]thiadiazin-4-amine.
What is the SMILES notation for 1-benzyl-5-[(4-chlorophenyl)methyl]-2,2-dioxo-6-phenylimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The canonical SMILES for 1-benzyl-5-[(4-chlorophenyl)methyl]-2,2-dioxo-6-phenylimidazo[4,5-c][1,2,6]thiadiazin-4-amine is NC1=NS(=O)(=O)N(Cc2ccccc2)c2nc(-c3ccccc3)n(Cc3ccc(Cl)cc3)c21.
What is the InChIKey of 1-benzyl-5-[(4-chlorophenyl)methyl]-2,2-dioxo-6-phenylimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The InChIKey is ZJNKLKCOPLJWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O2S/c25-20-13-11-18(12-14-20)15-29-21-22(26)28-33(31,32)30(16-17-7-3-1-4-8-17)24(21)27-23(29)19-9-5-2-6-10-19/h1-14H,15-16H2,(H2,26,28).
What are the key properties of 1-benzyl-5-[(4-chlorophenyl)methyl]-2,2-dioxo-6-phenylimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
1-benzyl-5-[(4-chlorophenyl)methyl]-2,2-dioxo-6-phenylimidazo[4,5-c][1,2,6]thiadiazin-4-amine has a molecular weight of 477.98 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[(4-chlorophenyl)methyl]-2,2-dioxo-6-phenylimidazo[4,5-c][1,2,6]thiadiazin-4-amine is sourced from PubChem (CID 46899281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).