1-(2-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol

C12H15FN4OS — CID 110885764

IUPAC1-(2-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol
SMILESCC(C)n1nnnc1SCC(O)c1ccccc1F
InChIInChI=1S/C12H15FN4OS/c1-8(2)17-12(14-15-16-17)19-7-11(18)9-5-3-4-6-10(9)13/h3-6,8,11,18H,7H2,1-2H3
InChIKeyAEFFVBYBALQDQH-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.22
Rot. Bonds5

About 1-(2-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol

1-(2-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol (PubChem CID 110885764) has the molecular formula C12H15FN4OS and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol
PubChem CID110885764
Molecular FormulaC12H15FN4OS
Molecular Weight282.34 g/mol
Exact Mass282.10
IUPAC Name1-(2-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol
SMILESCC(C)n1nnnc1SCC(O)c1ccccc1F
InChIInChI=1S/C12H15FN4OS/c1-8(2)17-12(14-15-16-17)19-7-11(18)9-5-3-4-6-10(9)13/h3-6,8,11,18H,7H2,1-2H3
InChIKeyAEFFVBYBALQDQH-UHFFFAOYSA-N
XLogP2.22
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol 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-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol (CID 110885764) is 1-(2-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol is CC(C)n1nnnc1SCC(O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol?
The InChIKey is AEFFVBYBALQDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4OS/c1-8(2)17-12(14-15-16-17)19-7-11(18)9-5-3-4-6-10(9)13/h3-6,8,11,18H,7H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol?
1-(2-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol has a molecular weight of 282.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanol is sourced from PubChem (CID 110885764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).