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

C14H17FN4OS — CID 110883489

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol
SMILESOC(CSc1nnnn1C1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C14H17FN4OS/c15-11-7-5-10(6-8-11)13(20)9-21-14-16-17-18-19(14)12-3-1-2-4-12/h5-8,12-13,20H,1-4,9H2
InChIKeyCHOQNQJLJYIBMH-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.75
Rot. Bonds5

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

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol (PubChem CID 110883489) has the molecular formula C14H17FN4OS and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol
PubChem CID110883489
Molecular FormulaC14H17FN4OS
Molecular Weight308.38 g/mol
Exact Mass308.11
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol
SMILESOC(CSc1nnnn1C1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C14H17FN4OS/c15-11-7-5-10(6-8-11)13(20)9-21-14-16-17-18-19(14)12-3-1-2-4-12/h5-8,12-13,20H,1-4,9H2
InChIKeyCHOQNQJLJYIBMH-UHFFFAOYSA-N
XLogP2.75
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol (CID 110883489) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol is OC(CSc1nnnn1C1CCCC1)c1ccc(F)cc1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol?
The InChIKey is CHOQNQJLJYIBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4OS/c15-11-7-5-10(6-8-11)13(20)9-21-14-16-17-18-19(14)12-3-1-2-4-12/h5-8,12-13,20H,1-4,9H2.
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol has a molecular weight of 308.38 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 110883489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).