2-(tetrazol-1-yl)-N-(1-thiophen-3-ylethyl)aniline

C13H13N5S — CID 62091747

IUPAC2-(tetrazol-1-yl)-N-(1-thiophen-3-ylethyl)aniline
SMILESCC(Nc1ccccc1-n1cnnn1)c1ccsc1
InChIInChI=1S/C13H13N5S/c1-10(11-6-7-19-8-11)15-12-4-2-3-5-13(12)18-9-14-16-17-18/h2-10,15H,1H3
InChIKeyTXRHVSZBZWQMCU-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.90
Rot. Bonds4

About 2-(tetrazol-1-yl)-N-(1-thiophen-3-ylethyl)aniline

2-(tetrazol-1-yl)-N-(1-thiophen-3-ylethyl)aniline (PubChem CID 62091747) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-(tetrazol-1-yl)-N-(1-thiophen-3-ylethyl)aniline.

Molecular Properties

Compound Name2-(tetrazol-1-yl)-N-(1-thiophen-3-ylethyl)aniline
PubChem CID62091747
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name2-(tetrazol-1-yl)-N-(1-thiophen-3-ylethyl)aniline
SMILESCC(Nc1ccccc1-n1cnnn1)c1ccsc1
InChIInChI=1S/C13H13N5S/c1-10(11-6-7-19-8-11)15-12-4-2-3-5-13(12)18-9-14-16-17-18/h2-10,15H,1H3
InChIKeyTXRHVSZBZWQMCU-UHFFFAOYSA-N
XLogP2.90
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(tetrazol-1-yl)-N-(1-thiophen-3-ylethyl)aniline?
The IUPAC name of 2-(tetrazol-1-yl)-N-(1-thiophen-3-ylethyl)aniline (CID 62091747) is 2-(tetrazol-1-yl)-N-(1-thiophen-3-ylethyl)aniline.
What is the SMILES notation for 2-(tetrazol-1-yl)-N-(1-thiophen-3-ylethyl)aniline?
The canonical SMILES for 2-(tetrazol-1-yl)-N-(1-thiophen-3-ylethyl)aniline is CC(Nc1ccccc1-n1cnnn1)c1ccsc1.
What is the InChIKey of 2-(tetrazol-1-yl)-N-(1-thiophen-3-ylethyl)aniline?
The InChIKey is TXRHVSZBZWQMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-10(11-6-7-19-8-11)15-12-4-2-3-5-13(12)18-9-14-16-17-18/h2-10,15H,1H3.
What are the key properties of 2-(tetrazol-1-yl)-N-(1-thiophen-3-ylethyl)aniline?
2-(tetrazol-1-yl)-N-(1-thiophen-3-ylethyl)aniline has a molecular weight of 271.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazol-1-yl)-N-(1-thiophen-3-ylethyl)aniline is sourced from PubChem (CID 62091747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).