N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-1-thiophen-2-ylethanamine

C13H15N5OS — CID 62565889

IUPACN-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-1-thiophen-2-ylethanamine
SMILESCC(NCCn1nnc(-c2ccco2)n1)c1cccs1
InChIInChI=1S/C13H15N5OS/c1-10(12-5-3-9-20-12)14-6-7-18-16-13(15-17-18)11-4-2-8-19-11/h2-5,8-10,14H,6-7H2,1H3
InChIKeyDDQHIBHAZFRCJK-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.35
Rot. Bonds6

About N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-1-thiophen-2-ylethanamine

N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-1-thiophen-2-ylethanamine (PubChem CID 62565889) 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]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-1-thiophen-2-ylethanamine
PubChem CID62565889
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC NameN-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-1-thiophen-2-ylethanamine
SMILESCC(NCCn1nnc(-c2ccco2)n1)c1cccs1
InChIInChI=1S/C13H15N5OS/c1-10(12-5-3-9-20-12)14-6-7-18-16-13(15-17-18)11-4-2-8-19-11/h2-5,8-10,14H,6-7H2,1H3
InChIKeyDDQHIBHAZFRCJK-UHFFFAOYSA-N
XLogP2.35
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-1-thiophen-2-ylethanamine (CID 62565889) is N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-1-thiophen-2-ylethanamine is CC(NCCn1nnc(-c2ccco2)n1)c1cccs1.
What is the InChIKey of N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-1-thiophen-2-ylethanamine?
The InChIKey is DDQHIBHAZFRCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-10(12-5-3-9-20-12)14-6-7-18-16-13(15-17-18)11-4-2-8-19-11/h2-5,8-10,14H,6-7H2,1H3.
What are the key properties of N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-1-thiophen-2-ylethanamine?
N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-1-thiophen-2-ylethanamine has a molecular weight of 289.36 g/mol, XLogP of 2.35, 6 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]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 62565889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).