1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine

C4H5N5S — CID 137159184

IUPAC1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine
SMILESNC1=NSNc2nc[nH]c21
InChIInChI=1S/C4H5N5S/c5-3-2-4(7-1-6-2)9-10-8-3/h1,9H,(H2,5,8)(H,6,7)
InChIKeyKHITWQQQOITKOY-UHFFFAOYSA-N
MW155.19 g/mol
LogP0.10
Rot. Bonds

About 1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine

1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine (PubChem CID 137159184) has the molecular formula C4H5N5S and a molecular weight of 155.19 g/mol. Its IUPAC name is 1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine.

Molecular Properties

Compound Name1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine
PubChem CID137159184
Molecular FormulaC4H5N5S
Molecular Weight155.19 g/mol
Exact Mass155.03
IUPAC Name1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine
SMILESNC1=NSNc2nc[nH]c21
InChIInChI=1S/C4H5N5S/c5-3-2-4(7-1-6-2)9-10-8-3/h1,9H,(H2,5,8)(H,6,7)
InChIKeyKHITWQQQOITKOY-UHFFFAOYSA-N
XLogP0.10
TPSA79.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.19
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The IUPAC name of 1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine (CID 137159184) is 1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine.
What is the SMILES notation for 1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The canonical SMILES for 1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine is NC1=NSNc2nc[nH]c21.
What is the InChIKey of 1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The InChIKey is KHITWQQQOITKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5S/c5-3-2-4(7-1-6-2)9-10-8-3/h1,9H,(H2,5,8)(H,6,7).
What are the key properties of 1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine has a molecular weight of 155.19 g/mol, XLogP of 0.10, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine is sourced from PubChem (CID 137159184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).