3-indazol-1-yl-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide

C18H11N3O2S2 — CID 3088744

IUPAC3-indazol-1-yl-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide
SMILESO=S1(=O)N=C(n2ncc3ccccc32)c2sc(-c3ccccc3)cc21
InChIInChI=1S/C18H11N3O2S2/c22-25(23)16-10-15(12-6-2-1-3-7-12)24-17(16)18(20-25)21-14-9-5-4-8-13(14)11-19-21/h1-11H
InChIKeyLWBSCMXQRLQDMR-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.76
Rot. Bonds1

About 3-indazol-1-yl-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide

3-indazol-1-yl-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide (PubChem CID 3088744) has the molecular formula C18H11N3O2S2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-indazol-1-yl-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide.

Molecular Properties

Compound Name3-indazol-1-yl-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide
PubChem CID3088744
Molecular FormulaC18H11N3O2S2
Molecular Weight365.44 g/mol
Exact Mass365.03
IUPAC Name3-indazol-1-yl-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide
SMILESO=S1(=O)N=C(n2ncc3ccccc32)c2sc(-c3ccccc3)cc21
InChIInChI=1S/C18H11N3O2S2/c22-25(23)16-10-15(12-6-2-1-3-7-12)24-17(16)18(20-25)21-14-9-5-4-8-13(14)11-19-21/h1-11H
InChIKeyLWBSCMXQRLQDMR-UHFFFAOYSA-N
XLogP3.76
TPSA64.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-indazol-1-yl-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide?
The IUPAC name of 3-indazol-1-yl-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide (CID 3088744) is 3-indazol-1-yl-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide.
What is the SMILES notation for 3-indazol-1-yl-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide?
The canonical SMILES for 3-indazol-1-yl-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide is O=S1(=O)N=C(n2ncc3ccccc32)c2sc(-c3ccccc3)cc21.
What is the InChIKey of 3-indazol-1-yl-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide?
The InChIKey is LWBSCMXQRLQDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O2S2/c22-25(23)16-10-15(12-6-2-1-3-7-12)24-17(16)18(20-25)21-14-9-5-4-8-13(14)11-19-21/h1-11H.
What are the key properties of 3-indazol-1-yl-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide?
3-indazol-1-yl-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide has a molecular weight of 365.44 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indazol-1-yl-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide is sourced from PubChem (CID 3088744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).