3-(3-thiophen-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiolane 1,1-dioxide

C11H10N4O2S3 — CID 75356696

IUPAC3-(3-thiophen-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2nn3c(-c4ccsc4)nnc3s2)C1
InChIInChI=1S/C11H10N4O2S3/c16-20(17)4-2-8(6-20)10-14-15-9(7-1-3-18-5-7)12-13-11(15)19-10/h1,3,5,8H,2,4,6H2
InChIKeyZOGTYPXXJJOEKJ-UHFFFAOYSA-N
MW326.43 g/mol
LogP1.82
Rot. Bonds2

About 3-(3-thiophen-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiolane 1,1-dioxide

3-(3-thiophen-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiolane 1,1-dioxide (PubChem CID 75356696) has the molecular formula C11H10N4O2S3 and a molecular weight of 326.43 g/mol. Its IUPAC name is 3-(3-thiophen-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(3-thiophen-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiolane 1,1-dioxide
PubChem CID75356696
Molecular FormulaC11H10N4O2S3
Molecular Weight326.43 g/mol
Exact Mass326.00
IUPAC Name3-(3-thiophen-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2nn3c(-c4ccsc4)nnc3s2)C1
InChIInChI=1S/C11H10N4O2S3/c16-20(17)4-2-8(6-20)10-14-15-9(7-1-3-18-5-7)12-13-11(15)19-10/h1,3,5,8H,2,4,6H2
InChIKeyZOGTYPXXJJOEKJ-UHFFFAOYSA-N
XLogP1.82
TPSA77.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(3-thiophen-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(3-thiophen-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiolane 1,1-dioxide (CID 75356696) is 3-(3-thiophen-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(3-thiophen-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(3-thiophen-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiolane 1,1-dioxide is O=S1(=O)CCC(c2nn3c(-c4ccsc4)nnc3s2)C1.
What is the InChIKey of 3-(3-thiophen-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiolane 1,1-dioxide?
The InChIKey is ZOGTYPXXJJOEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S3/c16-20(17)4-2-8(6-20)10-14-15-9(7-1-3-18-5-7)12-13-11(15)19-10/h1,3,5,8H,2,4,6H2.
What are the key properties of 3-(3-thiophen-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiolane 1,1-dioxide?
3-(3-thiophen-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiolane 1,1-dioxide has a molecular weight of 326.43 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-thiophen-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 75356696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).