3-(benzotriazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide

C11H6N4O2S2 — CID 3088743

IUPAC3-(benzotriazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide
SMILESO=S1(=O)N=C(n2nnc3ccccc32)c2sccc21
InChIInChI=1S/C11H6N4O2S2/c16-19(17)9-5-6-18-10(9)11(13-19)15-8-4-2-1-3-7(8)12-14-15/h1-6H
InChIKeyPOVKYZPVQIIMDN-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.49
Rot. Bonds

About 3-(benzotriazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide

3-(benzotriazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide (PubChem CID 3088743) has the molecular formula C11H6N4O2S2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-(benzotriazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide.

Molecular Properties

Compound Name3-(benzotriazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide
PubChem CID3088743
Molecular FormulaC11H6N4O2S2
Molecular Weight290.33 g/mol
Exact Mass289.99
IUPAC Name3-(benzotriazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide
SMILESO=S1(=O)N=C(n2nnc3ccccc32)c2sccc21
InChIInChI=1S/C11H6N4O2S2/c16-19(17)9-5-6-18-10(9)11(13-19)15-8-4-2-1-3-7(8)12-14-15/h1-6H
InChIKeyPOVKYZPVQIIMDN-UHFFFAOYSA-N
XLogP1.49
TPSA77.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(benzotriazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide?
The IUPAC name of 3-(benzotriazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide (CID 3088743) is 3-(benzotriazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide.
What is the SMILES notation for 3-(benzotriazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide?
The canonical SMILES for 3-(benzotriazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide is O=S1(=O)N=C(n2nnc3ccccc32)c2sccc21.
What is the InChIKey of 3-(benzotriazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide?
The InChIKey is POVKYZPVQIIMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N4O2S2/c16-19(17)9-5-6-18-10(9)11(13-19)15-8-4-2-1-3-7(8)12-14-15/h1-6H.
What are the key properties of 3-(benzotriazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide?
3-(benzotriazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide has a molecular weight of 290.33 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzotriazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide is sourced from PubChem (CID 3088743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).