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

C10H8ClN5O2S — CID 135408997

IUPAC6-(4-chlorophenyl)-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine
SMILESNC1=NS(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)[nH]c21
InChIInChI=1S/C10H8ClN5O2S/c11-6-3-1-5(2-4-6)9-13-7-8(12)15-19(17,18)16-10(7)14-9/h1-4,16H,(H2,12,15)(H,13,14)
InChIKeyMJEOKSJNWRQKDK-UHFFFAOYSA-N
MW297.73 g/mol
LogP1.11
Rot. Bonds1

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

6-(4-chlorophenyl)-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine (PubChem CID 135408997) has the molecular formula C10H8ClN5O2S and a molecular weight of 297.73 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine
PubChem CID135408997
Molecular FormulaC10H8ClN5O2S
Molecular Weight297.73 g/mol
Exact Mass297.01
IUPAC Name6-(4-chlorophenyl)-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine
SMILESNC1=NS(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)[nH]c21
InChIInChI=1S/C10H8ClN5O2S/c11-6-3-1-5(2-4-6)9-13-7-8(12)15-19(17,18)16-10(7)14-9/h1-4,16H,(H2,12,15)(H,13,14)
InChIKeyMJEOKSJNWRQKDK-UHFFFAOYSA-N
XLogP1.11
TPSA113.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The IUPAC name of 6-(4-chlorophenyl)-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine (CID 135408997) is 6-(4-chlorophenyl)-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The canonical SMILES for 6-(4-chlorophenyl)-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine is NC1=NS(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)[nH]c21.
What is the InChIKey of 6-(4-chlorophenyl)-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The InChIKey is MJEOKSJNWRQKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5O2S/c11-6-3-1-5(2-4-6)9-13-7-8(12)15-19(17,18)16-10(7)14-9/h1-4,16H,(H2,12,15)(H,13,14).
What are the key properties of 6-(4-chlorophenyl)-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
6-(4-chlorophenyl)-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine has a molecular weight of 297.73 g/mol, XLogP of 1.11, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine is sourced from PubChem (CID 135408997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).