2-[5-[(2-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine

C10H12FN5S — CID 66052129

IUPAC2-[5-[(2-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine
SMILESNCCn1nnnc1CSc1ccccc1F
InChIInChI=1S/C10H12FN5S/c11-8-3-1-2-4-9(8)17-7-10-13-14-15-16(10)6-5-12/h1-4H,5-7,12H2
InChIKeyANZFNCUSCRUZDO-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.06
Rot. Bonds5

About 2-[5-[(2-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine

2-[5-[(2-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine (PubChem CID 66052129) has the molecular formula C10H12FN5S and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[5-[(2-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[(2-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine
PubChem CID66052129
Molecular FormulaC10H12FN5S
Molecular Weight253.31 g/mol
Exact Mass253.08
IUPAC Name2-[5-[(2-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine
SMILESNCCn1nnnc1CSc1ccccc1F
InChIInChI=1S/C10H12FN5S/c11-8-3-1-2-4-9(8)17-7-10-13-14-15-16(10)6-5-12/h1-4H,5-7,12H2
InChIKeyANZFNCUSCRUZDO-UHFFFAOYSA-N
XLogP1.06
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine?
The IUPAC name of 2-[5-[(2-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine (CID 66052129) is 2-[5-[(2-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[5-[(2-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine?
The canonical SMILES for 2-[5-[(2-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine is NCCn1nnnc1CSc1ccccc1F.
What is the InChIKey of 2-[5-[(2-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine?
The InChIKey is ANZFNCUSCRUZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5S/c11-8-3-1-2-4-9(8)17-7-10-13-14-15-16(10)6-5-12/h1-4H,5-7,12H2.
What are the key properties of 2-[5-[(2-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine?
2-[5-[(2-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine has a molecular weight of 253.31 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine is sourced from PubChem (CID 66052129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).