1-[3-(tetrazol-1-yl)phenyl]-N-(thiophen-2-ylmethyl)ethanamine

C14H15N5S — CID 43204738

IUPAC1-[3-(tetrazol-1-yl)phenyl]-N-(thiophen-2-ylmethyl)ethanamine
SMILESCC(NCc1cccs1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C14H15N5S/c1-11(15-9-14-6-3-7-20-14)12-4-2-5-13(8-12)19-10-16-17-18-19/h2-8,10-11,15H,9H2,1H3
InChIKeyRSVHOECRVSGTPM-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.57
Rot. Bonds5

About 1-[3-(tetrazol-1-yl)phenyl]-N-(thiophen-2-ylmethyl)ethanamine

1-[3-(tetrazol-1-yl)phenyl]-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 43204738) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-[3-(tetrazol-1-yl)phenyl]-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-[3-(tetrazol-1-yl)phenyl]-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID43204738
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name1-[3-(tetrazol-1-yl)phenyl]-N-(thiophen-2-ylmethyl)ethanamine
SMILESCC(NCc1cccs1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C14H15N5S/c1-11(15-9-14-6-3-7-20-14)12-4-2-5-13(8-12)19-10-16-17-18-19/h2-8,10-11,15H,9H2,1H3
InChIKeyRSVHOECRVSGTPM-UHFFFAOYSA-N
XLogP2.57
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-(tetrazol-1-yl)phenyl]-N-(thiophen-2-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 61281098
N-(1,2-oxazol-5-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 106415586
2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 61166998
N-(pyridin-2-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 43195693
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 103786245
N-(2-methylsulfinylethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 115720609
N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pent-3-yn-1-amine
CID 116642927
3-methoxy-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 43205101
N-[(1-propan-2-ylcyclopropyl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 103903267
4-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butanamide
CID 60865372
2-hydroxy-3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]propanamide
CID 106171764
1-[3-(tetrazol-1-yl)phenyl]-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 63830975

Frequently Asked Questions

What is the IUPAC name of 1-[3-(tetrazol-1-yl)phenyl]-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 1-[3-(tetrazol-1-yl)phenyl]-N-(thiophen-2-ylmethyl)ethanamine (CID 43204738) is 1-[3-(tetrazol-1-yl)phenyl]-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-[3-(tetrazol-1-yl)phenyl]-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 1-[3-(tetrazol-1-yl)phenyl]-N-(thiophen-2-ylmethyl)ethanamine is CC(NCc1cccs1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of 1-[3-(tetrazol-1-yl)phenyl]-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is RSVHOECRVSGTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-11(15-9-14-6-3-7-20-14)12-4-2-5-13(8-12)19-10-16-17-18-19/h2-8,10-11,15H,9H2,1H3.
What are the key properties of 1-[3-(tetrazol-1-yl)phenyl]-N-(thiophen-2-ylmethyl)ethanamine?
1-[3-(tetrazol-1-yl)phenyl]-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 285.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(tetrazol-1-yl)phenyl]-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 43204738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).