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

C16H13N3O2S2 — CID 3087141

IUPAC3-(3,5-dimethylpyrazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide
SMILESCc1cc(C)n(C2=NS(=O)(=O)c3cc(-c4ccccc4)sc32)n1
InChIInChI=1S/C16H13N3O2S2/c1-10-8-11(2)19(17-10)16-15-14(23(20,21)18-16)9-13(22-15)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyXDCAPURAJUSKQF-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.23
Rot. Bonds1

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

3-(3,5-dimethylpyrazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide (PubChem CID 3087141) has the molecular formula C16H13N3O2S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide
PubChem CID3087141
Molecular FormulaC16H13N3O2S2
Molecular Weight343.43 g/mol
Exact Mass343.04
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide
SMILESCc1cc(C)n(C2=NS(=O)(=O)c3cc(-c4ccccc4)sc32)n1
InChIInChI=1S/C16H13N3O2S2/c1-10-8-11(2)19(17-10)16-15-14(23(20,21)18-16)9-13(22-15)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyXDCAPURAJUSKQF-UHFFFAOYSA-N
XLogP3.23
TPSA64.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.23
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)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide (CID 3087141) is 3-(3,5-dimethylpyrazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide is Cc1cc(C)n(C2=NS(=O)(=O)c3cc(-c4ccccc4)sc32)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide?
The InChIKey is XDCAPURAJUSKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S2/c1-10-8-11(2)19(17-10)16-15-14(23(20,21)18-16)9-13(22-15)12-6-4-3-5-7-12/h3-9H,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide?
3-(3,5-dimethylpyrazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide has a molecular weight of 343.43 g/mol, XLogP of 3.23, 1 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)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide is sourced from PubChem (CID 3087141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).