2-(2H-tetrazol-5-yl)-4-thiophen-3-ylaniline

C11H9N5S — CID 23434204

IUPAC2-(2H-tetrazol-5-yl)-4-thiophen-3-ylaniline
SMILESNc1ccc(-c2ccsc2)cc1-c1nn[nH]n1
InChIInChI=1S/C11H9N5S/c12-10-2-1-7(8-3-4-17-6-8)5-9(10)11-13-15-16-14-11/h1-6H,12H2,(H,13,14,15,16)
InChIKeyUDVPNQCUOWXXHU-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.18
Rot. Bonds2

About 2-(2H-tetrazol-5-yl)-4-thiophen-3-ylaniline

2-(2H-tetrazol-5-yl)-4-thiophen-3-ylaniline (PubChem CID 23434204) has the molecular formula C11H9N5S and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-yl)-4-thiophen-3-ylaniline.

Molecular Properties

Compound Name2-(2H-tetrazol-5-yl)-4-thiophen-3-ylaniline
PubChem CID23434204
Molecular FormulaC11H9N5S
Molecular Weight243.30 g/mol
Exact Mass243.06
IUPAC Name2-(2H-tetrazol-5-yl)-4-thiophen-3-ylaniline
SMILESNc1ccc(-c2ccsc2)cc1-c1nn[nH]n1
InChIInChI=1S/C11H9N5S/c12-10-2-1-7(8-3-4-17-6-8)5-9(10)11-13-15-16-14-11/h1-6H,12H2,(H,13,14,15,16)
InChIKeyUDVPNQCUOWXXHU-UHFFFAOYSA-N
XLogP2.18
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-yl)-4-thiophen-3-ylaniline?
The IUPAC name of 2-(2H-tetrazol-5-yl)-4-thiophen-3-ylaniline (CID 23434204) is 2-(2H-tetrazol-5-yl)-4-thiophen-3-ylaniline.
What is the SMILES notation for 2-(2H-tetrazol-5-yl)-4-thiophen-3-ylaniline?
The canonical SMILES for 2-(2H-tetrazol-5-yl)-4-thiophen-3-ylaniline is Nc1ccc(-c2ccsc2)cc1-c1nn[nH]n1.
What is the InChIKey of 2-(2H-tetrazol-5-yl)-4-thiophen-3-ylaniline?
The InChIKey is UDVPNQCUOWXXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5S/c12-10-2-1-7(8-3-4-17-6-8)5-9(10)11-13-15-16-14-11/h1-6H,12H2,(H,13,14,15,16).
What are the key properties of 2-(2H-tetrazol-5-yl)-4-thiophen-3-ylaniline?
2-(2H-tetrazol-5-yl)-4-thiophen-3-ylaniline has a molecular weight of 243.30 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-yl)-4-thiophen-3-ylaniline is sourced from PubChem (CID 23434204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).