6-thiophen-3-yl-1H-indazole

C11H8N2S — CID 18007497

IUPAC6-thiophen-3-yl-1H-indazole
SMILESc1cc(-c2ccc3cn[nH]c3c2)cs1
InChIInChI=1S/C11H8N2S/c1-2-9-6-12-13-11(9)5-8(1)10-3-4-14-7-10/h1-7H,(H,12,13)
InChIKeyPJVRVMTZHZABIW-UHFFFAOYSA-N
MW200.27 g/mol
LogP3.29
Rot. Bonds1

About 6-thiophen-3-yl-1H-indazole

6-thiophen-3-yl-1H-indazole (PubChem CID 18007497) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is 6-thiophen-3-yl-1H-indazole.

Molecular Properties

Compound Name6-thiophen-3-yl-1H-indazole
PubChem CID18007497
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name6-thiophen-3-yl-1H-indazole
SMILESc1cc(-c2ccc3cn[nH]c3c2)cs1
InChIInChI=1S/C11H8N2S/c1-2-9-6-12-13-11(9)5-8(1)10-3-4-14-7-10/h1-7H,(H,12,13)
InChIKeyPJVRVMTZHZABIW-UHFFFAOYSA-N
XLogP3.29
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-thiophen-3-yl-1H-indazole?
The IUPAC name of 6-thiophen-3-yl-1H-indazole (CID 18007497) is 6-thiophen-3-yl-1H-indazole.
What is the SMILES notation for 6-thiophen-3-yl-1H-indazole?
The canonical SMILES for 6-thiophen-3-yl-1H-indazole is c1cc(-c2ccc3cn[nH]c3c2)cs1.
What is the InChIKey of 6-thiophen-3-yl-1H-indazole?
The InChIKey is PJVRVMTZHZABIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c1-2-9-6-12-13-11(9)5-8(1)10-3-4-14-7-10/h1-7H,(H,12,13).
What are the key properties of 6-thiophen-3-yl-1H-indazole?
6-thiophen-3-yl-1H-indazole has a molecular weight of 200.27 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-3-yl-1H-indazole is sourced from PubChem (CID 18007497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).