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

C8H5N3O2S2 — CID 3087134

IUPAC3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide
SMILESO=S1(=O)N=C(n2cccn2)c2sccc21
InChIInChI=1S/C8H5N3O2S2/c12-15(13)6-2-5-14-7(6)8(10-15)11-4-1-3-9-11/h1-5H
InChIKeyBEMFASLOMFLVJC-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.94
Rot. Bonds

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

3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide (PubChem CID 3087134) has the molecular formula C8H5N3O2S2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide.

Molecular Properties

Compound Name3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide
PubChem CID3087134
Molecular FormulaC8H5N3O2S2
Molecular Weight239.28 g/mol
Exact Mass238.98
IUPAC Name3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide
SMILESO=S1(=O)N=C(n2cccn2)c2sccc21
InChIInChI=1S/C8H5N3O2S2/c12-15(13)6-2-5-14-7(6)8(10-15)11-4-1-3-9-11/h1-5H
InChIKeyBEMFASLOMFLVJC-UHFFFAOYSA-N
XLogP0.94
TPSA64.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Thieno[3,4-d]isothiazole, 3-(1H-pyrazol-1-yl)-, 1,1-dioxide
CID 3087128
Thieno(2,3-d)isothiazole, 3-(4-chloro-1H-pyrazol-1-yl)-, 1,1-dioxide
CID 3087135
Thieno(2,3-d)isothiazole, 3-(3,5-dimethyl-1H-pyrazol-1-yl)-, 1,1-dioxide
CID 3087136
Thieno(2,3-d)isothiazole, 5-phenyl-3-(1H-pyrazol-1-yl)-, 1,1-dioxide
CID 3087139
1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
CID 6468307
N,2,5-trimethyl-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide
CID 132377289
1-[(3-Fluorothiophen-2-yl)methyl]pyrazole
CID 141287281
1-(Thiophen-2-ylmethyl)pyrazole
CID 20202144
2-(3-Thiophen-2-ylpyrazol-1-yl)ethanesulfonyl fluoride
CID 138056651
N,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide
CID 71864010
N-cyclopropyl-1-methyl-N-(2-(thiophen-2-yl)ethyl)-1H-pyrazole-4-sulfonamide
CID 72717928
3-Pyrrol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide
CID 154444541

Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide?
The IUPAC name of 3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide (CID 3087134) is 3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide.
What is the SMILES notation for 3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide?
The canonical SMILES for 3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide is O=S1(=O)N=C(n2cccn2)c2sccc21.
What is the InChIKey of 3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide?
The InChIKey is BEMFASLOMFLVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O2S2/c12-15(13)6-2-5-14-7(6)8(10-15)11-4-1-3-9-11/h1-5H.
What are the key properties of 3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide?
3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide has a molecular weight of 239.28 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-ylthieno[2,3-d][1,2]thiazole 1,1-dioxide is sourced from PubChem (CID 3087134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).