2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol

C15H19FN4OS — CID 110883478

IUPAC2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol
SMILESOC(CSc1nnnn1C1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C15H19FN4OS/c16-12-8-6-11(7-9-12)14(21)10-22-15-17-18-19-20(15)13-4-2-1-3-5-13/h6-9,13-14,21H,1-5,10H2
InChIKeyQLJUIYAZJQDBGV-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.14
Rot. Bonds5

About 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol

2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol (PubChem CID 110883478) has the molecular formula C15H19FN4OS and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol
PubChem CID110883478
Molecular FormulaC15H19FN4OS
Molecular Weight322.41 g/mol
Exact Mass322.13
IUPAC Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol
SMILESOC(CSc1nnnn1C1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C15H19FN4OS/c16-12-8-6-11(7-9-12)14(21)10-22-15-17-18-19-20(15)13-4-2-1-3-5-13/h6-9,13-14,21H,1-5,10H2
InChIKeyQLJUIYAZJQDBGV-UHFFFAOYSA-N
XLogP3.14
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol (CID 110883478) is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol is OC(CSc1nnnn1C1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol?
The InChIKey is QLJUIYAZJQDBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4OS/c16-12-8-6-11(7-9-12)14(21)10-22-15-17-18-19-20(15)13-4-2-1-3-5-13/h6-9,13-14,21H,1-5,10H2.
What are the key properties of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol?
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol has a molecular weight of 322.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 110883478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).