3-thiophen-2-yl-2H-[1]benzothiolo[3,2-c]pyrazole

C13H8N2S2 — CID 18415853

IUPAC3-thiophen-2-yl-2H-[1]benzothiolo[3,2-c]pyrazole
SMILESc1csc(-c2[nH]nc3c2sc2ccccc23)c1
InChIInChI=1S/C13H8N2S2/c1-2-5-9-8(4-1)11-13(17-9)12(15-14-11)10-6-3-7-16-10/h1-7H,(H,14,15)
InChIKeyDFXMQLGWWGYSMX-UHFFFAOYSA-N
MW256.36 g/mol
LogP4.51
Rot. Bonds1

About 3-thiophen-2-yl-2H-[1]benzothiolo[3,2-c]pyrazole

3-thiophen-2-yl-2H-[1]benzothiolo[3,2-c]pyrazole (PubChem CID 18415853) has the molecular formula C13H8N2S2 and a molecular weight of 256.36 g/mol. Its IUPAC name is 3-thiophen-2-yl-2H-[1]benzothiolo[3,2-c]pyrazole.

Molecular Properties

Compound Name3-thiophen-2-yl-2H-[1]benzothiolo[3,2-c]pyrazole
PubChem CID18415853
Molecular FormulaC13H8N2S2
Molecular Weight256.36 g/mol
Exact Mass256.01
IUPAC Name3-thiophen-2-yl-2H-[1]benzothiolo[3,2-c]pyrazole
SMILESc1csc(-c2[nH]nc3c2sc2ccccc23)c1
InChIInChI=1S/C13H8N2S2/c1-2-5-9-8(4-1)11-13(17-9)12(15-14-11)10-6-3-7-16-10/h1-7H,(H,14,15)
InChIKeyDFXMQLGWWGYSMX-UHFFFAOYSA-N
XLogP4.51
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Thiophen-3-ylethynyl)-1H-indazole
CID 42606190
5-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-3-methylsulfanyl-1H-pyrazole
CID 4290721
3-(2-Thienyl)indazole
CID 11052643
Benzothienopyrazole
CID 17904935
3-(3-tert-butyl-2-fluorophenyl)-1H-thieno[3,2-c]pyrazole
CID 135179546
3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazole
CID 141058516
3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazole
CID 141058525
6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole
CID 141079194
3-(1-benzothiophen-3-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 57349814
4-(2-fluorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1H-pyrazol-3-amine
CID 80733485
4-(4-fluorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1H-pyrazol-3-amine
CID 80734188
4-(3-fluorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1H-pyrazol-3-amine
CID 80734189

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-2H-[1]benzothiolo[3,2-c]pyrazole?
The IUPAC name of 3-thiophen-2-yl-2H-[1]benzothiolo[3,2-c]pyrazole (CID 18415853) is 3-thiophen-2-yl-2H-[1]benzothiolo[3,2-c]pyrazole.
What is the SMILES notation for 3-thiophen-2-yl-2H-[1]benzothiolo[3,2-c]pyrazole?
The canonical SMILES for 3-thiophen-2-yl-2H-[1]benzothiolo[3,2-c]pyrazole is c1csc(-c2[nH]nc3c2sc2ccccc23)c1.
What is the InChIKey of 3-thiophen-2-yl-2H-[1]benzothiolo[3,2-c]pyrazole?
The InChIKey is DFXMQLGWWGYSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2S2/c1-2-5-9-8(4-1)11-13(17-9)12(15-14-11)10-6-3-7-16-10/h1-7H,(H,14,15).
What are the key properties of 3-thiophen-2-yl-2H-[1]benzothiolo[3,2-c]pyrazole?
3-thiophen-2-yl-2H-[1]benzothiolo[3,2-c]pyrazole has a molecular weight of 256.36 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-2H-[1]benzothiolo[3,2-c]pyrazole is sourced from PubChem (CID 18415853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).