N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-3-ylethanamine

C13H15N5OS — CID 62566795

IUPACN-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-3-ylethanamine
SMILESc1coc(-c2nnn(CCNCCc3ccsc3)n2)c1
InChIInChI=1S/C13H15N5OS/c1-2-12(19-8-1)13-15-17-18(16-13)7-6-14-5-3-11-4-9-20-10-11/h1-2,4,8-10,14H,3,5-7H2
InChIKeyAPIFHSHSPXVLCC-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.83
Rot. Bonds7

About N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-3-ylethanamine

N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-3-ylethanamine (PubChem CID 62566795) 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-3-ylethanamine.

Molecular Properties

Compound NameN-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-3-ylethanamine
PubChem CID62566795
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC NameN-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-3-ylethanamine
SMILESc1coc(-c2nnn(CCNCCc3ccsc3)n2)c1
InChIInChI=1S/C13H15N5OS/c1-2-12(19-8-1)13-15-17-18(16-13)7-6-14-5-3-11-4-9-20-10-11/h1-2,4,8-10,14H,3,5-7H2
InChIKeyAPIFHSHSPXVLCC-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'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-3-ylethanamine?
The IUPAC name of N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-3-ylethanamine (CID 62566795) is N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-3-ylethanamine is c1coc(-c2nnn(CCNCCc3ccsc3)n2)c1.
What is the InChIKey of N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-3-ylethanamine?
The InChIKey is APIFHSHSPXVLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-2-12(19-8-1)13-15-17-18(16-13)7-6-14-5-3-11-4-9-20-10-11/h1-2,4,8-10,14H,3,5-7H2.
What are the key properties of N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-3-ylethanamine?
N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-3-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-3-ylethanamine is sourced from PubChem (CID 62566795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).