2-piperidin-3-yl-5,6-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazole 4,4-dioxide

C9H14N4O2S — CID 82664279

IUPAC2-piperidin-3-yl-5,6-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazole 4,4-dioxide
SMILESO=S1(=O)CCn2nc(C3CCCNC3)nc21
InChIInChI=1S/C9H14N4O2S/c14-16(15)5-4-13-9(16)11-8(12-13)7-2-1-3-10-6-7/h7,10H,1-6H2
InChIKeyNPGONWYOKKDYLJ-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.47
Rot. Bonds1

About 2-piperidin-3-yl-5,6-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazole 4,4-dioxide

2-piperidin-3-yl-5,6-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazole 4,4-dioxide (PubChem CID 82664279) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-piperidin-3-yl-5,6-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazole 4,4-dioxide.

Molecular Properties

Compound Name2-piperidin-3-yl-5,6-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazole 4,4-dioxide
PubChem CID82664279
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name2-piperidin-3-yl-5,6-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazole 4,4-dioxide
SMILESO=S1(=O)CCn2nc(C3CCCNC3)nc21
InChIInChI=1S/C9H14N4O2S/c14-16(15)5-4-13-9(16)11-8(12-13)7-2-1-3-10-6-7/h7,10H,1-6H2
InChIKeyNPGONWYOKKDYLJ-UHFFFAOYSA-N
XLogP-0.47
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-5,6-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazole 4,4-dioxide?
The IUPAC name of 2-piperidin-3-yl-5,6-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazole 4,4-dioxide (CID 82664279) is 2-piperidin-3-yl-5,6-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazole 4,4-dioxide.
What is the SMILES notation for 2-piperidin-3-yl-5,6-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazole 4,4-dioxide?
The canonical SMILES for 2-piperidin-3-yl-5,6-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazole 4,4-dioxide is O=S1(=O)CCn2nc(C3CCCNC3)nc21.
What is the InChIKey of 2-piperidin-3-yl-5,6-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazole 4,4-dioxide?
The InChIKey is NPGONWYOKKDYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c14-16(15)5-4-13-9(16)11-8(12-13)7-2-1-3-10-6-7/h7,10H,1-6H2.
What are the key properties of 2-piperidin-3-yl-5,6-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazole 4,4-dioxide?
2-piperidin-3-yl-5,6-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazole 4,4-dioxide has a molecular weight of 242.30 g/mol, XLogP of -0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-5,6-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazole 4,4-dioxide is sourced from PubChem (CID 82664279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).