5-phenyl-3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide

C14H9N3O2S2 — CID 3087139

IUPAC5-phenyl-3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide
SMILESO=S1(=O)N=C(n2cccn2)c2sc(-c3ccccc3)cc21
InChIInChI=1S/C14H9N3O2S2/c18-21(19)12-9-11(10-5-2-1-3-6-10)20-13(12)14(16-21)17-8-4-7-15-17/h1-9H
InChIKeyCQEZQMFCTWBKHV-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.61
Rot. Bonds1

About 5-phenyl-3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide

5-phenyl-3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide (PubChem CID 3087139) has the molecular formula C14H9N3O2S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-phenyl-3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide.

Molecular Properties

Compound Name5-phenyl-3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide
PubChem CID3087139
Molecular FormulaC14H9N3O2S2
Molecular Weight315.38 g/mol
Exact Mass315.01
IUPAC Name5-phenyl-3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide
SMILESO=S1(=O)N=C(n2cccn2)c2sc(-c3ccccc3)cc21
InChIInChI=1S/C14H9N3O2S2/c18-21(19)12-9-11(10-5-2-1-3-6-10)20-13(12)14(16-21)17-8-4-7-15-17/h1-9H
InChIKeyCQEZQMFCTWBKHV-UHFFFAOYSA-N
XLogP2.61
TPSA64.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide?
The IUPAC name of 5-phenyl-3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide (CID 3087139) is 5-phenyl-3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide.
What is the SMILES notation for 5-phenyl-3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide?
The canonical SMILES for 5-phenyl-3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide is O=S1(=O)N=C(n2cccn2)c2sc(-c3ccccc3)cc21.
What is the InChIKey of 5-phenyl-3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide?
The InChIKey is CQEZQMFCTWBKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2S2/c18-21(19)12-9-11(10-5-2-1-3-6-10)20-13(12)14(16-21)17-8-4-7-15-17/h1-9H.
What are the key properties of 5-phenyl-3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide?
5-phenyl-3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide has a molecular weight of 315.38 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide is sourced from PubChem (CID 3087139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).