3-(benzotriazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide

C17H10N4O2S2 — CID 3087146

IUPAC3-(benzotriazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide
SMILESO=S1(=O)N=C(n2nnc3ccccc32)c2sc(-c3ccccc3)cc21
InChIInChI=1S/C17H10N4O2S2/c22-25(23)15-10-14(11-6-2-1-3-7-11)24-16(15)17(19-25)21-13-9-5-4-8-12(13)18-20-21/h1-10H
InChIKeyDHADUOSCVDGLAA-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.16
Rot. Bonds1

About 3-(benzotriazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide

3-(benzotriazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide (PubChem CID 3087146) has the molecular formula C17H10N4O2S2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 3-(benzotriazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide.

Molecular Properties

Compound Name3-(benzotriazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide
PubChem CID3087146
Molecular FormulaC17H10N4O2S2
Molecular Weight366.43 g/mol
Exact Mass366.02
IUPAC Name3-(benzotriazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide
SMILESO=S1(=O)N=C(n2nnc3ccccc32)c2sc(-c3ccccc3)cc21
InChIInChI=1S/C17H10N4O2S2/c22-25(23)15-10-14(11-6-2-1-3-7-11)24-16(15)17(19-25)21-13-9-5-4-8-12(13)18-20-21/h1-10H
InChIKeyDHADUOSCVDGLAA-UHFFFAOYSA-N
XLogP3.16
TPSA77.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.16
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)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide?
The IUPAC name of 3-(benzotriazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide (CID 3087146) is 3-(benzotriazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide.
What is the SMILES notation for 3-(benzotriazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide?
The canonical SMILES for 3-(benzotriazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide is O=S1(=O)N=C(n2nnc3ccccc32)c2sc(-c3ccccc3)cc21.
What is the InChIKey of 3-(benzotriazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide?
The InChIKey is DHADUOSCVDGLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4O2S2/c22-25(23)15-10-14(11-6-2-1-3-7-11)24-16(15)17(19-25)21-13-9-5-4-8-12(13)18-20-21/h1-10H.
What are the key properties of 3-(benzotriazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide?
3-(benzotriazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide has a molecular weight of 366.43 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzotriazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide is sourced from PubChem (CID 3087146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).