3-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide

C10H9N3O2S2 — CID 3087136

IUPAC3-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide
SMILESCc1cc(C)n(C2=NS(=O)(=O)c3ccsc32)n1
InChIInChI=1S/C10H9N3O2S2/c1-6-5-7(2)13(11-6)10-9-8(3-4-16-9)17(14,15)12-10/h3-5H,1-2H3
InChIKeyMEFCMRHDFHCGQW-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.56
Rot. Bonds

About 3-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide

3-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide (PubChem CID 3087136) has the molecular formula C10H9N3O2S2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide
PubChem CID3087136
Molecular FormulaC10H9N3O2S2
Molecular Weight267.33 g/mol
Exact Mass267.01
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide
SMILESCc1cc(C)n(C2=NS(=O)(=O)c3ccsc32)n1
InChIInChI=1S/C10H9N3O2S2/c1-6-5-7(2)13(11-6)10-9-8(3-4-16-9)17(14,15)12-10/h3-5H,1-2H3
InChIKeyMEFCMRHDFHCGQW-UHFFFAOYSA-N
XLogP1.56
TPSA64.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide (CID 3087136) is 3-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide is Cc1cc(C)n(C2=NS(=O)(=O)c3ccsc32)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide?
The InChIKey is MEFCMRHDFHCGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S2/c1-6-5-7(2)13(11-6)10-9-8(3-4-16-9)17(14,15)12-10/h3-5H,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide?
3-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide has a molecular weight of 267.33 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide is sourced from PubChem (CID 3087136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).