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

C13H13N5S — CID 43683983

IUPAC3-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline
SMILESCC(Nc1cccc(-n2cnnn2)c1)c1cccs1
InChIInChI=1S/C13H13N5S/c1-10(13-6-3-7-19-13)15-11-4-2-5-12(8-11)18-9-14-16-17-18/h2-10,15H,1H3
InChIKeyBXDDRHZISOQTIK-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.90
Rot. Bonds4

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

3-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline (PubChem CID 43683983) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 3-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name3-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline
PubChem CID43683983
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name3-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline
SMILESCC(Nc1cccc(-n2cnnn2)c1)c1cccs1
InChIInChI=1S/C13H13N5S/c1-10(13-6-3-7-19-13)15-11-4-2-5-12(8-11)18-9-14-16-17-18/h2-10,15H,1H3
InChIKeyBXDDRHZISOQTIK-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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Related Compounds

N-(1-thiophen-2-ylethyl)-3-(1,2,4-triazol-4-yl)aniline
CID 43692000
N-[1-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)aniline
CID 43684011
N-[1-(3-chlorophenyl)ethyl]-3-(tetrazol-1-yl)aniline
CID 43683959
N-(4-methylpentan-2-yl)-3-(tetrazol-1-yl)aniline
CID 43683982
3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]phenol
CID 43207009
N-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-3-(tetrazol-1-yl)benzamide
CID 30406600
3-(4-methyl-1,2,4-triazol-3-yl)-N-(1-thiophen-2-ylethyl)aniline
CID 43738674
1-[3-(tetrazol-1-yl)phenyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 43204738
N-[1-(4-bromothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)aniline
CID 107167771
N-(1-cyclopropylpropyl)-3-(tetrazol-1-yl)aniline
CID 64920522
(2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 54991235
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(tetrazol-1-yl)benzamide
CID 46565137

Frequently Asked Questions

What is the IUPAC name of 3-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline?
The IUPAC name of 3-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline (CID 43683983) is 3-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 3-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline?
The canonical SMILES for 3-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline is CC(Nc1cccc(-n2cnnn2)c1)c1cccs1.
What is the InChIKey of 3-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline?
The InChIKey is BXDDRHZISOQTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-10(13-6-3-7-19-13)15-11-4-2-5-12(8-11)18-9-14-16-17-18/h2-10,15H,1H3.
What are the key properties of 3-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline?
3-(tetrazol-1-yl)-N-(1-thiophen-2-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 3-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 43683983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).