N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-2-ylethanamine

C13H15N5OS — CID 62565890

IUPACN-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-2-ylethanamine
SMILESc1coc(-c2nnn(CCNCCc3cccs3)n2)c1
InChIInChI=1S/C13H15N5OS/c1-4-12(19-9-1)13-15-17-18(16-13)8-7-14-6-5-11-3-2-10-20-11/h1-4,9-10,14H,5-8H2
InChIKeyHPWVXHHNLSNGJL-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.83
Rot. Bonds7

About N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-2-ylethanamine

N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-2-ylethanamine (PubChem CID 62565890) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-2-ylethanamine
PubChem CID62565890
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC NameN-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-2-ylethanamine
SMILESc1coc(-c2nnn(CCNCCc3cccs3)n2)c1
InChIInChI=1S/C13H15N5OS/c1-4-12(19-9-1)13-15-17-18(16-13)8-7-14-6-5-11-3-2-10-20-11/h1-4,9-10,14H,5-8H2
InChIKeyHPWVXHHNLSNGJL-UHFFFAOYSA-N
XLogP1.83
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-2-ylethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-2-ylethanamine (CID 62565890) is N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-2-ylethanamine is c1coc(-c2nnn(CCNCCc3cccs3)n2)c1.
What is the InChIKey of N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-2-ylethanamine?
The InChIKey is HPWVXHHNLSNGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-4-12(19-9-1)13-15-17-18(16-13)8-7-14-6-5-11-3-2-10-20-11/h1-4,9-10,14H,5-8H2.
What are the key properties of N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-2-ylethanamine?
N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-2-ylethanamine has a molecular weight of 289.36 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 62565890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).