1-[2-fluoro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanamine

C10H12FN5S — CID 43189279

IUPAC1-[2-fluoro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanamine
SMILESCC(N)c1c(F)cccc1Sc1nnnn1C
InChIInChI=1S/C10H12FN5S/c1-6(12)9-7(11)4-3-5-8(9)17-10-13-14-15-16(10)2/h3-6H,12H2,1-2H3
InChIKeyPVCGQFZZWGGVIU-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.52
Rot. Bonds3

About 1-[2-fluoro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanamine

1-[2-fluoro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanamine (PubChem CID 43189279) has the molecular formula C10H12FN5S and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[2-fluoro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanamine.

Molecular Properties

Compound Name1-[2-fluoro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanamine
PubChem CID43189279
Molecular FormulaC10H12FN5S
Molecular Weight253.31 g/mol
Exact Mass253.08
IUPAC Name1-[2-fluoro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanamine
SMILESCC(N)c1c(F)cccc1Sc1nnnn1C
InChIInChI=1S/C10H12FN5S/c1-6(12)9-7(11)4-3-5-8(9)17-10-13-14-15-16(10)2/h3-6H,12H2,1-2H3
InChIKeyPVCGQFZZWGGVIU-UHFFFAOYSA-N
XLogP1.52
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-fluoro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanamine?
The IUPAC name of 1-[2-fluoro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanamine (CID 43189279) is 1-[2-fluoro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanamine.
What is the SMILES notation for 1-[2-fluoro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanamine?
The canonical SMILES for 1-[2-fluoro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanamine is CC(N)c1c(F)cccc1Sc1nnnn1C.
What is the InChIKey of 1-[2-fluoro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanamine?
The InChIKey is PVCGQFZZWGGVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5S/c1-6(12)9-7(11)4-3-5-8(9)17-10-13-14-15-16(10)2/h3-6H,12H2,1-2H3.
What are the key properties of 1-[2-fluoro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanamine?
1-[2-fluoro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanamine has a molecular weight of 253.31 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanamine is sourced from PubChem (CID 43189279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).