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

C9H13N5S — CID 137095834

IUPAC6-cyclopentyl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine
SMILESNC1=NSNc2nc(C3CCCC3)[nH]c21
InChIInChI=1S/C9H13N5S/c10-7-6-9(14-15-13-7)12-8(11-6)5-3-1-2-4-5/h5,14H,1-4H2,(H2,10,13)(H,11,12)
InChIKeySLFPZEXUNCXTOM-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.76
Rot. Bonds1

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

6-cyclopentyl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine (PubChem CID 137095834) has the molecular formula C9H13N5S and a molecular weight of 223.30 g/mol. Its IUPAC name is 6-cyclopentyl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine
PubChem CID137095834
Molecular FormulaC9H13N5S
Molecular Weight223.30 g/mol
Exact Mass223.09
IUPAC Name6-cyclopentyl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine
SMILESNC1=NSNc2nc(C3CCCC3)[nH]c21
InChIInChI=1S/C9H13N5S/c10-7-6-9(14-15-13-7)12-8(11-6)5-3-1-2-4-5/h5,14H,1-4H2,(H2,10,13)(H,11,12)
InChIKeySLFPZEXUNCXTOM-UHFFFAOYSA-N
XLogP1.76
TPSA79.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.76
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 6-cyclopentyl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The IUPAC name of 6-cyclopentyl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine (CID 137095834) is 6-cyclopentyl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine.
What is the SMILES notation for 6-cyclopentyl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The canonical SMILES for 6-cyclopentyl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine is NC1=NSNc2nc(C3CCCC3)[nH]c21.
What is the InChIKey of 6-cyclopentyl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
The InChIKey is SLFPZEXUNCXTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c10-7-6-9(14-15-13-7)12-8(11-6)5-3-1-2-4-5/h5,14H,1-4H2,(H2,10,13)(H,11,12).
What are the key properties of 6-cyclopentyl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine?
6-cyclopentyl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine has a molecular weight of 223.30 g/mol, XLogP of 1.76, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine is sourced from PubChem (CID 137095834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).