3-(4-chloropyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide

C8H4ClN3O2S2 — CID 3087135

IUPAC3-(4-chloropyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide
SMILESO=S1(=O)N=C(n2cc(Cl)cn2)c2sccc21
InChIInChI=1S/C8H4ClN3O2S2/c9-5-3-10-12(4-5)8-7-6(1-2-15-7)16(13,14)11-8/h1-4H
InChIKeySEFKNVCIUBGABJ-UHFFFAOYSA-N
MW273.73 g/mol
LogP1.60
Rot. Bonds

About 3-(4-chloropyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide

3-(4-chloropyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide (PubChem CID 3087135) has the molecular formula C8H4ClN3O2S2 and a molecular weight of 273.73 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide
PubChem CID3087135
Molecular FormulaC8H4ClN3O2S2
Molecular Weight273.73 g/mol
Exact Mass272.94
IUPAC Name3-(4-chloropyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide
SMILESO=S1(=O)N=C(n2cc(Cl)cn2)c2sccc21
InChIInChI=1S/C8H4ClN3O2S2/c9-5-3-10-12(4-5)8-7-6(1-2-15-7)16(13,14)11-8/h1-4H
InChIKeySEFKNVCIUBGABJ-UHFFFAOYSA-N
XLogP1.60
TPSA64.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide?
The IUPAC name of 3-(4-chloropyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide (CID 3087135) is 3-(4-chloropyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide is O=S1(=O)N=C(n2cc(Cl)cn2)c2sccc21.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide?
The InChIKey is SEFKNVCIUBGABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClN3O2S2/c9-5-3-10-12(4-5)8-7-6(1-2-15-7)16(13,14)11-8/h1-4H.
What are the key properties of 3-(4-chloropyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide?
3-(4-chloropyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide has a molecular weight of 273.73 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)thieno[2,3-d][1,2]thiazole 1,1-dioxide is sourced from PubChem (CID 3087135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).