2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine

C12H13N5S — CID 19977127

IUPAC2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine
SMILESCn1nnc(-c2ccc3scc(CCN)c3c2)n1
InChIInChI=1S/C12H13N5S/c1-17-15-12(14-16-17)8-2-3-11-10(6-8)9(4-5-13)7-18-11/h2-3,6-7H,4-5,13H2,1H3
InChIKeyRXPPFGXJDOUYQM-UHFFFAOYSA-N
MW259.34 g/mol
LogP1.59
Rot. Bonds3

About 2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine

2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine (PubChem CID 19977127) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine
PubChem CID19977127
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine
SMILESCn1nnc(-c2ccc3scc(CCN)c3c2)n1
InChIInChI=1S/C12H13N5S/c1-17-15-12(14-16-17)8-2-3-11-10(6-8)9(4-5-13)7-18-11/h2-3,6-7H,4-5,13H2,1H3
InChIKeyRXPPFGXJDOUYQM-UHFFFAOYSA-N
XLogP1.59
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine?
The IUPAC name of 2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine (CID 19977127) is 2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine?
The canonical SMILES for 2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine is Cn1nnc(-c2ccc3scc(CCN)c3c2)n1.
What is the InChIKey of 2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine?
The InChIKey is RXPPFGXJDOUYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-17-15-12(14-16-17)8-2-3-11-10(6-8)9(4-5-13)7-18-11/h2-3,6-7H,4-5,13H2,1H3.
What are the key properties of 2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine?
2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine has a molecular weight of 259.34 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methyltetrazol-5-yl)-1-benzothiophen-3-yl]ethanamine is sourced from PubChem (CID 19977127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).