3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole

C13H10N2S — CID 67415906

IUPAC3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole
SMILESC(=C/c1n[nH]c2ccccc12)\c1cccs1
InChIInChI=1S/C13H10N2S/c1-2-6-12-11(5-1)13(15-14-12)8-7-10-4-3-9-16-10/h1-9H,(H,14,15)/b8-7+
InChIKeyQNPMCNXCECETIW-BQYQJAHWSA-N
MW226.30 g/mol
LogP3.79
Rot. Bonds2

About 3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole

3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole (PubChem CID 67415906) has the molecular formula C13H10N2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole.

Molecular Properties

Compound Name3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole
PubChem CID67415906
Molecular FormulaC13H10N2S
Molecular Weight226.30 g/mol
Exact Mass226.06
IUPAC Name3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole
SMILESC(=C/c1n[nH]c2ccccc12)\c1cccs1
InChIInChI=1S/C13H10N2S/c1-2-6-12-11(5-1)13(15-14-12)8-7-10-4-3-9-16-10/h1-9H,(H,14,15)/b8-7+
InChIKeyQNPMCNXCECETIW-BQYQJAHWSA-N
XLogP3.79
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole?
The IUPAC name of 3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole (CID 67415906) is 3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole.
What is the SMILES notation for 3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole?
The canonical SMILES for 3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole is C(=C/c1n[nH]c2ccccc12)\c1cccs1.
What is the InChIKey of 3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole?
The InChIKey is QNPMCNXCECETIW-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H10N2S/c1-2-6-12-11(5-1)13(15-14-12)8-7-10-4-3-9-16-10/h1-9H,(H,14,15)/b8-7+.
What are the key properties of 3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole?
3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole has a molecular weight of 226.30 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole is sourced from PubChem (CID 67415906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).