N-[1-(3-methylthiophen-2-yl)ethyl]-2-(tetrazol-1-yl)aniline

C14H15N5S — CID 63992655

IUPACN-[1-(3-methylthiophen-2-yl)ethyl]-2-(tetrazol-1-yl)aniline
SMILESCc1ccsc1C(C)Nc1ccccc1-n1cnnn1
InChIInChI=1S/C14H15N5S/c1-10-7-8-20-14(10)11(2)16-12-5-3-4-6-13(12)19-9-15-17-18-19/h3-9,11,16H,1-2H3
InChIKeyLTGPZVKBTYRODK-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.21
Rot. Bonds4

About N-[1-(3-methylthiophen-2-yl)ethyl]-2-(tetrazol-1-yl)aniline

N-[1-(3-methylthiophen-2-yl)ethyl]-2-(tetrazol-1-yl)aniline (PubChem CID 63992655) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is N-[1-(3-methylthiophen-2-yl)ethyl]-2-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[1-(3-methylthiophen-2-yl)ethyl]-2-(tetrazol-1-yl)aniline
PubChem CID63992655
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC NameN-[1-(3-methylthiophen-2-yl)ethyl]-2-(tetrazol-1-yl)aniline
SMILESCc1ccsc1C(C)Nc1ccccc1-n1cnnn1
InChIInChI=1S/C14H15N5S/c1-10-7-8-20-14(10)11(2)16-12-5-3-4-6-13(12)19-9-15-17-18-19/h3-9,11,16H,1-2H3
InChIKeyLTGPZVKBTYRODK-UHFFFAOYSA-N
XLogP3.21
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(3-methylthiophen-2-yl)ethyl]-2-(tetrazol-1-yl)aniline 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

4-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3-(tetrazol-1-yl)aniline
CID 63990478
2-(tetrazol-1-yl)-N-(1-thiophen-3-ylethyl)aniline
CID 62091747
N-[1-(2-chlorophenyl)ethyl]-2-(tetrazol-1-yl)aniline
CID 43702199
N-[1-(4-chlorophenyl)ethyl]-2-(tetrazol-1-yl)aniline
CID 43702187
N-(1,1-difluoropropan-2-yl)-2-(tetrazol-1-yl)aniline
CID 102868555
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-(tetrazol-1-yl)aniline
CID 61333962
N-(1-cyclopentylethyl)-2-(tetrazol-1-yl)aniline
CID 55096519
N-(3-methylbutyl)-2-(tetrazol-1-yl)aniline
CID 43702180
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 115749259
1-(2-methylphenyl)tetrazole;hydrochloride
CID 174468330
N-[2-(tetrazol-1-yl)phenyl]ethanesulfonamide
CID 61061859
methyl 2-[1-(3-methylthiophen-2-yl)ethylamino]benzoate
CID 63991837

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylthiophen-2-yl)ethyl]-2-(tetrazol-1-yl)aniline?
The IUPAC name of N-[1-(3-methylthiophen-2-yl)ethyl]-2-(tetrazol-1-yl)aniline (CID 63992655) is N-[1-(3-methylthiophen-2-yl)ethyl]-2-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[1-(3-methylthiophen-2-yl)ethyl]-2-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[1-(3-methylthiophen-2-yl)ethyl]-2-(tetrazol-1-yl)aniline is Cc1ccsc1C(C)Nc1ccccc1-n1cnnn1.
What is the InChIKey of N-[1-(3-methylthiophen-2-yl)ethyl]-2-(tetrazol-1-yl)aniline?
The InChIKey is LTGPZVKBTYRODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-10-7-8-20-14(10)11(2)16-12-5-3-4-6-13(12)19-9-15-17-18-19/h3-9,11,16H,1-2H3.
What are the key properties of N-[1-(3-methylthiophen-2-yl)ethyl]-2-(tetrazol-1-yl)aniline?
N-[1-(3-methylthiophen-2-yl)ethyl]-2-(tetrazol-1-yl)aniline has a molecular weight of 285.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylthiophen-2-yl)ethyl]-2-(tetrazol-1-yl)aniline is sourced from PubChem (CID 63992655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).