2-[5-(furan-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)ethanamine

C12H13N5OS — CID 62566249

IUPAC2-[5-(furan-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)ethanamine
SMILESc1coc(-c2nnn(CCNCc3cccs3)n2)c1
InChIInChI=1S/C12H13N5OS/c1-4-11(18-7-1)12-14-16-17(15-12)6-5-13-9-10-3-2-8-19-10/h1-4,7-8,13H,5-6,9H2
InChIKeyYCODPSIANPIRLJ-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.78
Rot. Bonds6

About 2-[5-(furan-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)ethanamine

2-[5-(furan-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 62566249) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[5-(furan-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID62566249
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name2-[5-(furan-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)ethanamine
SMILESc1coc(-c2nnn(CCNCc3cccs3)n2)c1
InChIInChI=1S/C12H13N5OS/c1-4-11(18-7-1)12-14-16-17(15-12)6-5-13-9-10-3-2-8-19-10/h1-4,7-8,13H,5-6,9H2
InChIKeyYCODPSIANPIRLJ-UHFFFAOYSA-N
XLogP1.78
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.78
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 2-[5-(furan-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-[5-(furan-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)ethanamine (CID 62566249) is 2-[5-(furan-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-[5-(furan-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-[5-(furan-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)ethanamine is c1coc(-c2nnn(CCNCc3cccs3)n2)c1.
What is the InChIKey of 2-[5-(furan-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is YCODPSIANPIRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-4-11(18-7-1)12-14-16-17(15-12)6-5-13-9-10-3-2-8-19-10/h1-4,7-8,13H,5-6,9H2.
What are the key properties of 2-[5-(furan-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)ethanamine?
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 275.34 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 62566249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).